CID 12397

1-pentadecanol

Structural Information

Molecular Formula
C15H32O
SMILES
CCCCCCCCCCCCCCCO
InChI
InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
InChIKey
REIUXOLGHVXAEO-UHFFFAOYSA-N
Compound name
pentadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

21633
Patents

228.24532 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.25260 161.3
[M+Na]+ 251.23454 170.0
[M+NH4]+ 246.27914 168.3
[M+K]+ 267.20848 161.8
[M-H]- 227.23804 160.6
[M+Na-2H]- 249.21999 163.1
[M]+ 228.24477 162.1
[M]- 228.24587 162.1
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