CID 56936245

Cis-6,7-epoxy-2-methylheptadecane

Structural Information

Molecular Formula

C₁₈H₃₆O

SMILES

CCCCCCCCCCC1C(O1)CCCC(C)C

InChI

InChI=1S/C18H36O/c1-4-5-6-7-8-9-10-11-14-17-18(19-17)15-12-13-16(2)3/h16-18H,4-15H2,1-3H3

InChIKey

MYAXSLNSJQGASK-UHFFFAOYSA-N

Compound name

2-decyl-3-(4-methylpentyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.2766 Da
Monoisotopic Mass: 7.6
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]+	269.28388	171.3
[M+Na]+	291.26582	176.5
[M-H]-	267.26932	175.1
[M+NH4]+	286.31042	182.6
[M+K]+	307.23976	174.0
[M+H-H2O]+	251.27386	163.8
[M+HCOO]-	313.27480	190.0
[M+CH3COO]-	327.29045	207.8
[M+Na-2H]-	289.25127	172.1
[M]+	268.27605	179.9
[M]-	268.27715	180.0

Literature stripe

literature stripe

Patent stripe

patents stripe