CID 92033288

25z-tetratriacontenoic acid

Structural Information

Molecular Formula
C34H66O2
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C34H66O2/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/h9-10H,2-8,11-33H2,1H3,(H,35,36)/b10-9-
InChIKey
SKNHDOZTVAQKFO-KTKRTIGZSA-N
Compound name
(Z)-tetratriacont-25-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.5063 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.51358 243.7
[M+Na]+ 529.49552 248.9
[M-H]- 505.49902 225.0
[M+NH4]+ 524.54012 240.1
[M+K]+ 545.46946 249.0
[M+H-H2O]+ 489.50356 242.2
[M+HCOO]- 551.50450 250.5
[M+CH3COO]- 565.52015 249.7
[M+Na-2H]- 527.48097 227.9
[M]+ 506.50575 243.1
[M]- 506.50685 243.1
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.