CID 12453023

Ethyl 2-cyclopropylacetate

Structural Information

Molecular Formula
C7H12O2
SMILES
CCOC(=O)CC1CC1
InChI
InChI=1S/C7H12O2/c1-2-9-7(8)5-6-3-4-6/h6H,2-5H2,1H3
InChIKey
AODPICOFZRYWKI-UHFFFAOYSA-N
Compound name
ethyl 2-cyclopropylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

128.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 127.3
[M+Na]+ 151.07294 139.0
[M+NH4]+ 146.11754 136.1
[M+K]+ 167.04688 135.3
[M-H]- 127.07644 134.7
[M+Na-2H]- 149.05839 134.6
[M]+ 128.08317 132.0
[M]- 128.08427 132.0
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