CID 12211939

Methyl 2-cyclopropyl-2-oxoacetate

Structural Information

Molecular Formula
C6H8O3
SMILES
COC(=O)C(=O)C1CC1
InChI
InChI=1S/C6H8O3/c1-9-6(8)5(7)4-2-3-4/h4H,2-3H2,1H3
InChIKey
YEQVTPWDUVJNHQ-UHFFFAOYSA-N
Compound name
methyl 2-cyclopropyl-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

128.04735 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 125.1
[M+Na]+ 151.03657 134.4
[M-H]- 127.04007 130.1
[M+NH4]+ 146.08117 142.3
[M+K]+ 167.01051 133.7
[M+H-H2O]+ 111.04461 119.6
[M+HCOO]- 173.04555 148.4
[M+CH3COO]- 187.06120 174.5
[M+Na-2H]- 149.02202 130.3
[M]+ 128.04680 129.2
[M]- 128.04790 129.2
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