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
2
Annotation Hits

0
References

37
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 163.9
[M+Na]+ 251.23454 167.1
[M-H]- 227.23804 161.7
[M+NH4]+ 246.27914 181.7
[M+K]+ 267.20848 165.4
[M+H-H2O]+ 211.24258 159.0
[M+HCOO]- 273.24352 180.0
[M+CH3COO]- 287.25917 195.7
[M+Na-2H]- 249.21999 163.9
[M]+ 228.24477 166.4
[M]- 228.24587 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