CID 5282673

2,4-dimethyl-2-eicosenoic acid

Structural Information

Molecular Formula
C22H42O2
SMILES
CCCCCCCCCCCCCCCCC(C)/C=C(\C)/C(=O)O
InChI
InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(2)19-21(3)22(23)24/h19-20H,4-18H2,1-3H3,(H,23,24)/b21-19+
InChIKey
LHBAARNMEIXEDK-XUTLUUPISA-N
Compound name
(E)-2,4-dimethylicos-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

338.31848 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.32576 197.0
[M+Na]+ 361.30770 197.1
[M-H]- 337.31120 193.1
[M+NH4]+ 356.35230 209.9
[M+K]+ 377.28164 192.9
[M+H-H2O]+ 321.31574 190.0
[M+HCOO]- 383.31668 211.8
[M+CH3COO]- 397.33233 216.4
[M+Na-2H]- 359.29315 191.2
[M]+ 338.31793 201.8
[M]- 338.31903 201.8
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.