CID 549785

2-methyl-z-7,8-epoxyhexadecane

Structural Information

Molecular Formula

C₁₇H₃₄O

SMILES

CCCCCCCCC1C(O1)CCCCC(C)C

InChI

InChI=1S/C17H34O/c1-4-5-6-7-8-9-13-16-17(18-16)14-11-10-12-15(2)3/h15-17H,4-14H2,1-3H3

InChIKey

QVIBKECDBFIZNV-UHFFFAOYSA-N

Compound name

2-(5-methylhexyl)-3-octyloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.26097 Da
Monoisotopic Mass: 7.1
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]+	255.268246	167.1
[M+Na]+	277.250188	172.6
[M-H]-	253.253694	171.0
[M+NH4]+	272.294793	178.9
[M+K]+	293.224128	170.4
[M+H-H2O]+	237.258230	159.7
[M+HCOO]-	299.259171	186.1
[M+CH3COO]-	313.274821	204.9
[M+Na-2H]-	275.235636	168.4
[M]+	254.26042142	175.3
[M]-	254.26151858	175.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.