CID 110328

Isohexacosanol

Structural Information

Molecular Formula
C26H54O
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C26H54O/c1-26(2)24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27/h26-27H,3-25H2,1-2H3
InChIKey
XCAKLCDEUPZJOI-UHFFFAOYSA-N
Compound name
24-methylpentacosan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

329
Patents

382.41748 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.42476 213.2
[M+Na]+ 405.40670 211.5
[M-H]- 381.41020 208.3
[M+NH4]+ 400.45130 224.6
[M+K]+ 421.38064 206.0
[M+H-H2O]+ 365.41474 205.3
[M+HCOO]- 427.41568 228.1
[M+CH3COO]- 441.43133 227.1
[M+Na-2H]- 403.39215 207.8
[M]+ 382.41693 221.0
[M]- 382.41803 221.0
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