CID 87664346

Schembl4401572

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

CC1(CC=CC1)C=O

InChI

InChI=1S/C7H10O/c1-7(6-8)4-2-3-5-7/h2-3,6H,4-5H2,1H3

InChIKey

SOPPFQAFDHEIMO-UHFFFAOYSA-N

Compound name

1-methylcyclopent-3-ene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 110.073166 Da
Monoisotopic Mass: 1.2
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]+	111.08044	122.3
[M+Na]+	133.06238	133.5
[M+NH4]+	128.10699	133.2
[M+K]+	149.03632	127.0
[M-H]-	109.06589	124.0
[M+Na-2H]-	131.04783	129.8
[M]+	110.07262	124.4
[M]-	110.07371	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe