CID 101143233

22z-hentriacontenoic acid

Structural Information

Molecular Formula
C31H60O2
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C31H60O2/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/h9-10H,2-8,11-30H2,1H3,(H,32,33)/b10-9-
InChIKey
YGEBMTZEPHPZQK-KTKRTIGZSA-N
Compound name
(Z)-hentriacont-22-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.45932 Da
Monoisotopic Mass

13.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.46660 234.1
[M+Na]+ 487.44854 238.9
[M-H]- 463.45204 215.5
[M+NH4]+ 482.49314 229.6
[M+K]+ 503.42248 223.4
[M+H-H2O]+ 447.45658 225.1
[M+HCOO]- 509.45752 241.1
[M+CH3COO]- 523.47317 241.2
[M+Na-2H]- 485.43399 226.3
[M]+ 464.45877 232.9
[M]- 464.45987 232.9
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.