CID 5282609

24-methylhexacosanoic acid

Structural Information

Molecular Formula
C27H54O2
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C27H54O2/c1-3-26(2)24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27(28)29/h26H,3-25H2,1-2H3,(H,28,29)
InChIKey
QKVYEHVFHQOMSA-UHFFFAOYSA-N
Compound name
24-methylhexacosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

410.41238 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.41966 219.8
[M+Na]+ 433.40160 217.7
[M-H]- 409.40510 214.7
[M+NH4]+ 428.44620 218.4
[M+K]+ 449.37554 212.3
[M+H-H2O]+ 393.40964 211.7
[M+HCOO]- 455.41058 226.9
[M+CH3COO]- 469.42623 231.7
[M+Na-2H]- 431.38705 212.7
[M]+ 410.41183 228.0
[M]- 410.41293 228.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe