CID 62825

16-methylheptadecan-1-ol

Structural Information

Molecular Formula
C18H38O
SMILES
CC(C)CCCCCCCCCCCCCCCO
InChI
InChI=1S/C18H38O/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h18-19H,3-17H2,1-2H3
InChIKey
WNWHHMBRJJOGFJ-UHFFFAOYSA-N
Compound name
16-methylheptadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

9
References

78848
Patents

270.29227 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.29955 178.1
[M+Na]+ 293.28149 179.6
[M-H]- 269.28499 174.7
[M+NH4]+ 288.32609 194.0
[M+K]+ 309.25543 176.3
[M+H-H2O]+ 253.28953 171.6
[M+HCOO]- 315.29047 195.6
[M+CH3COO]- 329.30612 203.5
[M+Na-2H]- 291.26694 176.8
[M]+ 270.29172 182.8
[M]- 270.29282 182.8
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.