CID 23701

3-dodecanol, 3,7,11-trimethyl-

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
3
Annotation Hits

0
References

39
Patents

228.24532 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.252596 163.9
[M+Na]+ 251.234538 167.1
[M-H]- 227.238044 161.7
[M+NH4]+ 246.279143 181.7
[M+K]+ 267.208478 165.4
[M+H-H2O]+ 211.242580 159.0
[M+HCOO]- 273.243521 180.0
[M+CH3COO]- 287.259171 195.7
[M+Na-2H]- 249.219986 163.9
[M]+ 228.24477142 166.4
[M]- 228.24586858 166.4
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