CID 171117702

4z,7z,10z,13z,16z,19z,22z,25z,28z,31z-tetratriacontadecenoic acid

Structural Information

Molecular Formula
C34H48O2
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
InChI
InChI=1S/C34H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(35)36/h3-4,6-7,9-10,12-13,15-16,18-19,21-22,24-25,27-28,30-31H,2,5,8,11,14,17,20,23,26,29,32-33H2,1H3,(H,35,36)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-,22-21-,25-24-,28-27-,31-30-
InChIKey
MGAQRGZKQYPGEV-QEXHNFCLSA-N
Compound name
(4Z,7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-4,7,10,13,16,19,22,25,28,31-decaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.36542 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.37270 225.5
[M+Na]+ 511.35464 236.2
[M-H]- 487.35814 214.2
[M+NH4]+ 506.39924 225.0
[M+K]+ 527.32858 232.2
[M+H-H2O]+ 471.36268 224.6
[M+HCOO]- 533.36362 240.1
[M+CH3COO]- 547.37927 237.7
[M+Na-2H]- 509.34009 214.4
[M]+ 488.36487 223.3
[M]- 488.36597 223.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.