CID 580057

5-ethylcyclopentene-1-carbaldehyde

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

CCC1CCC=C1C=O

InChI

InChI=1S/C8H12O/c1-2-7-4-3-5-8(7)6-9/h5-7H,2-4H2,1H3

InChIKey

BXRHTYIYAZHIHF-UHFFFAOYSA-N

Compound name

5-ethylcyclopentene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 124.08881 Da
Monoisotopic Mass: 2.0
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]+	125.096086	125.0
[M+Na]+	147.078028	133.0
[M-H]-	123.081534	128.7
[M+NH4]+	142.122633	149.3
[M+K]+	163.051968	131.8
[M+H-H2O]+	107.086070	120.3
[M+HCOO]-	169.087011	149.6
[M+CH3COO]-	183.102661	171.1
[M+Na-2H]-	145.063476	129.9
[M]+	124.08826142	124.9
[M]-	124.08935858	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe