CID 262979

Ethyl 3-cyclopropyl-3-oxopropanoate

Structural Information

Molecular Formula
C8H12O3
SMILES
CCOC(=O)CC(=O)C1CC1
InChI
InChI=1S/C8H12O3/c1-2-11-8(10)5-7(9)6-3-4-6/h6H,2-5H2,1H3
InChIKey
LFSVADABIDBSBV-UHFFFAOYSA-N
Compound name
ethyl 3-cyclopropyl-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

961
Patents

156.07864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 133.8
[M+Na]+ 179.06786 142.4
[M-H]- 155.07136 138.4
[M+NH4]+ 174.11246 149.9
[M+K]+ 195.04180 141.1
[M+H-H2O]+ 139.07590 128.0
[M+HCOO]- 201.07684 156.4
[M+CH3COO]- 215.09249 180.3
[M+Na-2H]- 177.05331 138.0
[M]+ 156.07809 138.6
[M]- 156.07919 138.6
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