CID 122164129

4-(methoxymethyl)cyclopent-1-ene

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

COCC1CC=CC1

InChI

InChI=1S/C7H12O/c1-8-6-7-4-2-3-5-7/h2-3,7H,4-6H2,1H3

InChIKey

NKXUKUPJOIOBRW-UHFFFAOYSA-N

Compound name

4-(methoxymethyl)cyclopentene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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	122.5
[M+Na]+	135.078028	129.6
[M-H]-	111.081534	125.9
[M+NH4]+	130.122633	147.0
[M+K]+	151.051968	129.3
[M+H-H2O]+	95.086070	117.6
[M+HCOO]-	157.087011	147.2
[M+CH3COO]-	171.102661	168.0
[M+Na-2H]-	133.063476	128.5
[M]+	112.08826142	122.4
[M]-	112.08935858	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe