CID 139621467

1824529-29-4

Structural Information

Molecular Formula
C8H10O6
SMILES
COC(=O)C1C(C1C(=O)OC)C(=O)O
InChI
InChI=1S/C8H10O6/c1-13-7(11)4-3(6(9)10)5(4)8(12)14-2/h3-5H,1-2H3,(H,9,10)
InChIKey
GOAVZTRCNJRXJD-UHFFFAOYSA-N
Compound name
2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.04774 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05502 138.7
[M+Na]+ 225.03696 148.4
[M-H]- 201.04046 142.6
[M+NH4]+ 220.08156 152.6
[M+K]+ 241.01090 147.0
[M+H-H2O]+ 185.04500 133.6
[M+HCOO]- 247.04594 159.5
[M+CH3COO]- 261.06159 185.6
[M+Na-2H]- 223.02241 140.2
[M]+ 202.04719 145.5
[M]- 202.04829 145.5
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