CID 13861823

113020-21-6

Structural Information

Molecular Formula
C6H8O4
SMILES
COC(=O)C1(CC1)C(=O)O
InChI
InChI=1S/C6H8O4/c1-10-5(9)6(2-3-6)4(7)8/h2-3H2,1H3,(H,7,8)
InChIKey
IZYOHLOUZVEIOS-UHFFFAOYSA-N
Compound name
1-methoxycarbonylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

741
Patents

144.04225 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 132.1
[M+Na]+ 167.03147 142.6
[M+NH4]+ 162.07607 140.6
[M+K]+ 183.00541 139.3
[M-H]- 143.03497 137.9
[M+Na-2H]- 165.01692 139.2
[M]+ 144.04170 136.2
[M]- 144.04280 136.2
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