CID 137685

3-methoxycyclohex-1-ene

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

COC1CCCC=C1

InChI

InChI=1S/C7H12O/c1-8-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3

InChIKey

OKDKFTKUXADLSJ-UHFFFAOYSA-N

Compound name

3-methoxycyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 189
Patents: 112.08881 Da
Monoisotopic Mass: 1.5
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	121.5
[M+Na]+	135.078028	127.7
[M-H]-	111.081534	124.8
[M+NH4]+	130.122633	144.2
[M+K]+	151.051968	127.4
[M+H-H2O]+	95.086070	116.4
[M+HCOO]-	157.087011	144.1
[M+CH3COO]-	171.102661	168.1
[M+Na-2H]-	133.063476	128.9
[M]+	112.08826142	119.3
[M]-	112.08935858	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe