CID 89777

22627-70-9

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

CCOC1=CC(=O)CC1

InChI

InChI=1S/C7H10O2/c1-2-9-7-4-3-6(8)5-7/h5H,2-4H2,1H3

InChIKey

SUQNVCCJLBQVEI-UHFFFAOYSA-N

Compound name

3-ethoxycyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 336
Patents: 126.06808 Da
Monoisotopic Mass: 0.6
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]+	127.07536	123.4
[M+Na]+	149.05730	131.8
[M-H]-	125.06080	127.2
[M+NH4]+	144.10190	147.6
[M+K]+	165.03124	131.3
[M+H-H2O]+	109.06534	118.7
[M+HCOO]-	171.06628	148.6
[M+CH3COO]-	185.08193	170.0
[M+Na-2H]-	147.04275	128.9
[M]+	126.06753	124.4
[M]-	126.06863	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe