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
5
Annotation Hits

14
References

24214
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 163.6
[M+Na]+ 251.23454 166.7
[M-H]- 227.23804 160.8
[M+NH4]+ 246.27914 181.3
[M+K]+ 267.20848 163.7
[M+H-H2O]+ 211.24258 157.7
[M+HCOO]- 273.24352 183.2
[M+CH3COO]- 287.25917 193.8
[M+Na-2H]- 249.21999 165.4
[M]+ 228.24477 167.9
[M]- 228.24587 167.9
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