CID 96687

2-pentadecanol

Structural Information

Molecular Formula
C15H32O
SMILES
CCCCCCCCCCCCCC(C)O
InChI
InChI=1S/C15H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h15-16H,3-14H2,1-2H3
InChIKey
ALVGHPMGQNBJRC-UHFFFAOYSA-N
Compound name
pentadecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

918
Patents

228.24532 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.25260 164.5
[M+Na]+ 251.23454 167.4
[M-H]- 227.23804 161.8
[M+NH4]+ 246.27914 182.2
[M+K]+ 267.20848 164.8
[M+H-H2O]+ 211.24258 158.7
[M+HCOO]- 273.24352 183.1
[M+CH3COO]- 287.25917 194.5
[M+Na-2H]- 249.21999 164.9
[M]+ 228.24477 168.1
[M]- 228.24587 168.1
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