CID 10130016

3-cyclopropyl-3-oxopropionic acid methyl ester

Structural Information

Molecular Formula
C7H10O3
SMILES
COC(=O)CC(=O)C1CC1
InChI
InChI=1S/C7H10O3/c1-10-7(9)4-6(8)5-2-3-5/h5H,2-4H2,1H3
InChIKey
RIJWDPRXCXJDPK-UHFFFAOYSA-N
Compound name
methyl 3-cyclopropyl-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1035
Patents

142.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.070266 129.5
[M+Na]+ 165.052208 138.4
[M-H]- 141.055714 134.3
[M+NH4]+ 160.096813 146.1
[M+K]+ 181.026148 137.4
[M+H-H2O]+ 125.060250 123.8
[M+HCOO]- 187.061191 152.4
[M+CH3COO]- 201.076841 177.4
[M+Na-2H]- 163.037656 134.2
[M]+ 142.06244142 133.9
[M]- 142.06353858 133.9
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