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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	271.299546	179.2
[M+Na]+	293.281488	180.4
[M-H]-	269.284994	176.0
[M+NH4]+	288.326093	195.0
[M+K]+	309.255428	177.9
[M+H-H2O]+	253.289530	173.0
[M+HCOO]-	315.290471	194.7
[M+CH3COO]-	329.306121	205.1
[M+Na-2H]-	291.266936	175.4
[M]+	270.29172142	182.5
[M]-	270.29281858	182.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.