CID 5283294

3s,7s-dimethyl-2-hexadecanol

Structural Information

Molecular Formula
C18H38O
SMILES
CCCCCCCCC[C@H](C)CCC[C@H](C)[C@H](C)O
InChI
InChI=1S/C18H38O/c1-5-6-7-8-9-10-11-13-16(2)14-12-15-17(3)18(4)19/h16-19H,5-15H2,1-4H3/t16-,17-,18-/m0/s1
InChIKey
SVMAWHNAUKMUBF-BZSNNMDCSA-N
Compound name
(2S,3S,7S)-3,7-dimethylhexadecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.29227 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.29955 179.2
[M+Na]+ 293.28149 180.4
[M-H]- 269.28499 176.0
[M+NH4]+ 288.32609 195.0
[M+K]+ 309.25543 177.9
[M+H-H2O]+ 253.28953 173.0
[M+HCOO]- 315.29047 194.7
[M+CH3COO]- 329.30612 205.1
[M+Na-2H]- 291.26694 175.4
[M]+ 270.29172 182.5
[M]- 270.29282 182.5
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

No patent data available for this compound.