CID 12148226

1-methoxycyclopentane-1-carbaldehyde

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

COC1(CCCC1)C=O

InChI

InChI=1S/C7H12O2/c1-9-7(6-8)4-2-3-5-7/h6H,2-5H2,1H3

InChIKey

GKVKYSSIHCDQOL-UHFFFAOYSA-N

Compound name

1-methoxycyclopentane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 128.08372 Da
Monoisotopic Mass: 0.7
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]+	129.090996	125.7
[M+Na]+	151.072938	133.0
[M-H]-	127.076444	129.2
[M+NH4]+	146.117543	151.4
[M+K]+	167.046878	132.8
[M+H-H2O]+	111.080980	121.6
[M+HCOO]-	173.081921	149.4
[M+CH3COO]-	187.097571	168.9
[M+Na-2H]-	149.058386	131.9
[M]+	128.08317142	125.2
[M]-	128.08426858	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe