CID 14438908

2-propyldodecan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

228.24532 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.25260 164.5
[M+Na]+ 251.23454 167.4
[M-H]- 227.23804 161.8
[M+NH4]+ 246.27914 182.2
[M+K]+ 267.20848 164.8
[M+H-H2O]+ 211.24258 158.7
[M+HCOO]- 273.24352 183.1
[M+CH3COO]- 287.25917 194.5
[M+Na-2H]- 249.21999 164.9
[M]+ 228.24477 168.1
[M]- 228.24587 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

No literature data available for this compound.

Patent stripe

patents stripe