CID 23701

3,7,11-trimethyldodecan-3-ol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

228.24532 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.25260 161.9
[M+Na]+ 251.23454 169.7
[M+NH4]+ 246.27914 168.5
[M+K]+ 267.20848 164.3
[M-H]- 227.23804 160.2
[M+Na-2H]- 249.21999 162.9
[M]+ 228.24477 162.4
[M]- 228.24587 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe