CID 138824

3,7,11-trimethyl-1-dodecanol

Structural Information

Molecular Formula
C15H32O
SMILES
CC(C)CCCC(C)CCCC(C)CCO
InChI
InChI=1S/C15H32O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13-16H,5-12H2,1-4H3
InChIKey
HDPUXESLSOZSIB-UHFFFAOYSA-N
Compound name
3,7,11-trimethyldodecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

329
Patents

228.24532 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.252596 165.4
[M+Na]+ 251.234538 167.8
[M-H]- 227.238044 162.8
[M+NH4]+ 246.279143 182.9
[M+K]+ 267.208478 166.2
[M+H-H2O]+ 211.242580 159.8
[M+HCOO]- 273.243521 181.9
[M+CH3COO]- 287.259171 196.2
[M+Na-2H]- 249.219986 163.2
[M]+ 228.24477142 167.6
[M]- 228.24586858 167.6
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