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 126.7
[M+Na]+ 151.03657 137.9
[M+NH4]+ 146.08117 134.6
[M+K]+ 167.01051 135.4
[M-H]- 127.04007 133.2
[M+Na-2H]- 149.02202 133.3
[M]+ 128.04680 130.9
[M]- 128.04790 130.9
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