CID 5312341

2-methyl-2-hexacosenoic acid

Structural Information

Molecular Formula
C27H52O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCC/C=C(\C)/C(=O)O
InChI
InChI=1S/C27H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2)27(28)29/h25H,3-24H2,1-2H3,(H,28,29)/b26-25+
InChIKey
NCBYNTHKMJPLDB-OCEACIFDSA-N
Compound name
(E)-2-methylhexacos-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

408.39673 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.40401 218.3
[M+Na]+ 431.38595 216.5
[M-H]- 407.38945 213.3
[M+NH4]+ 426.43055 216.3
[M+K]+ 447.35989 210.6
[M+H-H2O]+ 391.39399 210.3
[M+HCOO]- 453.39493 225.3
[M+CH3COO]- 467.41058 230.3
[M+Na-2H]- 429.37140 211.2
[M]+ 408.39618 225.7
[M]- 408.39728 225.7
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.