CID 10214400

Methyl 1-acetylcyclopropane-1-carboxylate

Structural Information

Molecular Formula
C7H10O3
SMILES
CC(=O)C1(CC1)C(=O)OC
InChI
InChI=1S/C7H10O3/c1-5(8)7(3-4-7)6(9)10-2/h3-4H2,1-2H3
InChIKey
JXBAKCMWFYJKGF-UHFFFAOYSA-N
Compound name
methyl 1-acetylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

142.06299 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.070266 129.8
[M+Na]+ 165.052208 139.4
[M-H]- 141.055714 135.0
[M+NH4]+ 160.096813 148.3
[M+K]+ 181.026148 139.3
[M+H-H2O]+ 125.060250 125.6
[M+HCOO]- 187.061191 152.3
[M+CH3COO]- 201.076841 177.0
[M+Na-2H]- 163.037656 135.6
[M]+ 142.06244142 134.7
[M]- 142.06353858 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe