CID 44152270

Dtxsid30993774

Structural Information

Molecular Formula

C₂₀H₄₀O

SMILES

CC(C)CCCCCCCCCCCCCCCC1CO1

InChI

InChI=1S/C20H40O/c1-19(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-18-21-20/h19-20H,3-18H2,1-2H3

InChIKey

BABXACDYRNJJHX-UHFFFAOYSA-N

Compound name

2-(16-methylheptadecyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 296.30792 Da
Monoisotopic Mass: 9.0
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]+	297.315196	180.3
[M+Na]+	319.297138	183.7
[M-H]-	295.300644	183.3
[M+NH4]+	314.341743	190.1
[M+K]+	335.271078	180.8
[M+H-H2O]+	279.305180	172.1
[M+HCOO]-	341.306121	198.4
[M+CH3COO]-	355.321771	212.3
[M+Na-2H]-	317.282586	180.7
[M]+	296.30737142	189.2
[M]-	296.30846858	189.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe