CID 13416320

1-(methoxycarbonyl)-2-methylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10O4
SMILES
CC1CC1(C(=O)O)C(=O)OC
InChI
InChI=1S/C7H10O4/c1-4-3-7(4,5(8)9)6(10)11-2/h4H,3H2,1-2H3,(H,8,9)
InChIKey
RKQOWBIRNZFAEV-UHFFFAOYSA-N
Compound name
1-methoxycarbonyl-2-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

158.0579 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.065176 131.3
[M+Na]+ 181.047118 141.3
[M-H]- 157.050624 135.4
[M+NH4]+ 176.091723 148.8
[M+K]+ 197.021058 140.6
[M+H-H2O]+ 141.055160 127.6
[M+HCOO]- 203.056101 152.5
[M+CH3COO]- 217.071751 177.6
[M+Na-2H]- 179.032566 136.2
[M]+ 158.05735142 136.3
[M]- 158.05844858 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

patents stripe