CID 24778499

9z,15z,22z-hentriacontatriene

Structural Information

Molecular Formula
C31H58
SMILES
CCCCCCCC/C=C\CCCCC/C=C\CCCC/C=C\CCCCCCCC
InChI
InChI=1S/C31H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,29,31H,3-16,21-28,30H2,1-2H3/b19-17-,20-18-,31-29-
InChIKey
AEEPVVXYYGSXMM-XRPSBXSJSA-N
Compound name
(9Z,15Z,22Z)-hentriaconta-9,15,22-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.45386 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.46114 225.3
[M+Na]+ 453.44308 223.3
[M-H]- 429.44658 220.9
[M+NH4]+ 448.48768 225.2
[M+K]+ 469.41702 214.7
[M+H-H2O]+ 413.45112 216.6
[M+HCOO]- 475.45206 241.9
[M+CH3COO]- 489.46771 237.7
[M+Na-2H]- 451.42853 219.2
[M]+ 430.45331 233.8
[M]- 430.45441 233.8
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.