CID 5282610

Isomontanic acid

Structural Information

Molecular Formula
C28H56O2
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C28H56O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28(29)30/h27H,3-26H2,1-2H3,(H,29,30)
InChIKey
GCUBDUZUXAQLEY-UHFFFAOYSA-N
Compound name
26-methylheptacosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

424.42804 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.43532 224.1
[M+Na]+ 447.41726 221.6
[M-H]- 423.42076 218.8
[M+NH4]+ 442.46186 222.0
[M+K]+ 463.39120 215.9
[M+H-H2O]+ 407.42530 215.8
[M+HCOO]- 469.42624 230.1
[M+CH3COO]- 483.44189 234.6
[M+Na-2H]- 445.40271 216.5
[M]+ 424.42749 232.7
[M]- 424.42859 232.7
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.