CID 224243

1-methyl-1,2-epoxycyclohexane

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

CC12CCCCC1O2

InChI

InChI=1S/C7H12O/c1-7-5-3-2-4-6(7)8-7/h6H,2-5H2,1H3

InChIKey

FIEKVYPYFQSFTP-UHFFFAOYSA-N

Compound name

1-methyl-7-oxabicyclo[4.1.0]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 873
Patents: 112.08881 Da
Monoisotopic Mass: 1.4
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]+	113.096086	123.6
[M+Na]+	135.078028	132.7
[M-H]-	111.081534	129.8
[M+NH4]+	130.122633	143.2
[M+K]+	151.051968	133.5
[M+H-H2O]+	95.086070	118.7
[M+HCOO]-	157.087011	143.4
[M+CH3COO]-	171.102661	171.9
[M+Na-2H]-	133.063476	133.7
[M]+	112.08826142	124.8
[M]-	112.08935858	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe