CID 101229081

82235-81-2

Structural Information

Molecular Formula
C7H10O4
SMILES
C[C@@]1(C[C@H]1C(=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)/t4-,7-/m0/s1
InChIKey
RJMPMJXOLAUXEC-FFWSUHOLSA-N
Compound name
(1S,2R)-2-methoxycarbonyl-1-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 131.3
[M+Na]+ 181.04712 141.3
[M-H]- 157.05062 135.4
[M+NH4]+ 176.09172 148.8
[M+K]+ 197.02106 140.6
[M+H-H2O]+ 141.05516 127.6
[M+HCOO]- 203.05610 152.5
[M+CH3COO]- 217.07175 177.6
[M+Na-2H]- 179.03257 136.2
[M]+ 158.05735 136.3
[M]- 158.05845 136.3
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

No patent data available for this compound.