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

137
Patents

142.06299 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 129.8
[M+Na]+ 165.05221 139.4
[M-H]- 141.05571 135.0
[M+NH4]+ 160.09681 148.3
[M+K]+ 181.02615 139.3
[M+H-H2O]+ 125.06025 125.6
[M+HCOO]- 187.06119 152.3
[M+CH3COO]- 201.07684 177.0
[M+Na-2H]- 163.03766 135.6
[M]+ 142.06244 134.7
[M]- 142.06354 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