CID 21774059

23z-triacontenoic acid

Structural Information

Molecular Formula
C30H58O2
SMILES
CCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C30H58O2/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/h7-8H,2-6,9-29H2,1H3,(H,31,32)/b8-7-
InChIKey
FPSNIINKNPLCBN-FPLPWBNLSA-N
Compound name
(Z)-triacont-23-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.4437 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.45098 229.9
[M+Na]+ 473.43292 227.1
[M-H]- 449.43642 212.4
[M+NH4]+ 468.47752 226.0
[M+K]+ 489.40686 219.9
[M+H-H2O]+ 433.44096 221.1
[M+HCOO]- 495.44190 237.9
[M+CH3COO]- 509.45755 238.3
[M+Na-2H]- 471.41837 222.6
[M]+ 450.44315 229.4
[M]- 450.44425 229.4
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.