CID 89777

3-ethoxycyclopent-2-en-1-one

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

322
Patents

126.06808 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 123.4
[M+Na]+ 149.057298 131.8
[M-H]- 125.060804 127.2
[M+NH4]+ 144.101903 147.6
[M+K]+ 165.031238 131.3
[M+H-H2O]+ 109.065340 118.7
[M+HCOO]- 171.066281 148.6
[M+CH3COO]- 185.081931 170.0
[M+Na-2H]- 147.042746 128.9
[M]+ 126.06753142 124.4
[M]- 126.06862858 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe