CID 14220439

Methyl 2-acetylcyclopropane-1-carboxylate

Structural Information

Molecular Formula
C7H10O3
SMILES
CC(=O)C1CC1C(=O)OC
InChI
InChI=1S/C7H10O3/c1-4(8)5-3-6(5)7(9)10-2/h5-6H,3H2,1-2H3
InChIKey
MSCQZOISCXMNDV-UHFFFAOYSA-N
Compound name
methyl 2-acetylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

142.06299 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.070266 128.3
[M+Na]+ 165.052208 138.1
[M-H]- 141.055714 133.5
[M+NH4]+ 160.096813 145.3
[M+K]+ 181.026148 137.0
[M+H-H2O]+ 125.060250 123.0
[M+HCOO]- 187.061191 151.2
[M+CH3COO]- 201.076841 178.5
[M+Na-2H]- 163.037656 132.4
[M]+ 142.06244142 133.1
[M]- 142.06353858 133.1
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