CID 12935822

Rac-(1r,2s)-2-(methoxycarbonyl)-1-methylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10O4
SMILES
CC1(CC1C(=O)OC)C(=O)O
InChI
InChI=1S/C7H10O4/c1-7(6(9)10)3-4(7)5(8)11-2/h4H,3H2,1-2H3,(H,9,10)
InChIKey
RJMPMJXOLAUXEC-UHFFFAOYSA-N
Compound name
2-methoxycarbonyl-1-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

158.0579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 134.9
[M+Na]+ 181.04712 145.6
[M+NH4]+ 176.09172 143.3
[M+K]+ 197.02106 142.3
[M-H]- 157.05062 140.7
[M+Na-2H]- 179.03257 141.6
[M]+ 158.05735 139.0
[M]- 158.05845 139.0
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