CID 234183

Ethyl 1-acetylcyclopropane-1-carboxylate

Structural Information

Molecular Formula
C8H12O3
SMILES
CCOC(=O)C1(CC1)C(=O)C
InChI
InChI=1S/C8H12O3/c1-3-11-7(10)8(4-5-8)6(2)9/h3-5H2,1-2H3
InChIKey
DISZFIFAESWGBI-UHFFFAOYSA-N
Compound name
ethyl 1-acetylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

284
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 134.1
[M+Na]+ 179.06786 143.3
[M-H]- 155.07136 139.1
[M+NH4]+ 174.11246 152.1
[M+K]+ 195.04180 143.0
[M+H-H2O]+ 139.07590 129.7
[M+HCOO]- 201.07684 156.3
[M+CH3COO]- 215.09249 179.8
[M+Na-2H]- 177.05331 139.4
[M]+ 156.07809 139.3
[M]- 156.07919 139.3
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