CID 94094

13-methyltetradecan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

602
Patents

228.24532 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.252596 164.5
[M+Na]+ 251.234538 167.4
[M-H]- 227.238044 161.8
[M+NH4]+ 246.279143 182.2
[M+K]+ 267.208478 164.8
[M+H-H2O]+ 211.242580 158.7
[M+HCOO]- 273.243521 183.1
[M+CH3COO]- 287.259171 194.5
[M+Na-2H]- 249.219986 164.9
[M]+ 228.24477142 168.1
[M]- 228.24586858 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