CID 39077

Propanedioic acid, (carboxymethoxy)-

Structural Information

Molecular Formula
C5H6O7
SMILES
C(C(=O)O)OC(C(=O)O)C(=O)O
InChI
InChI=1S/C5H6O7/c6-2(7)1-12-3(4(8)9)5(10)11/h3H,1H2,(H,6,7)(H,8,9)(H,10,11)
InChIKey
LVVZBNKWTVZSIU-UHFFFAOYSA-N
Compound name
2-(carboxymethoxy)propanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3691
Patents

178.01135 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.01863 130.8
[M+Na]+ 201.00057 136.6
[M-H]- 177.00407 127.0
[M+NH4]+ 196.04517 147.9
[M+K]+ 216.97451 137.6
[M+H-H2O]+ 161.00861 126.2
[M+HCOO]- 223.00955 148.6
[M+CH3COO]- 237.02520 172.1
[M+Na-2H]- 198.98602 132.0
[M]+ 178.01080 131.4
[M]- 178.01190 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe