CID 11094663

30450-85-2

Structural Information

Molecular Formula
C4H6O5
SMILES
C(C(=O)OCC(=O)O)O
InChI
InChI=1S/C4H6O5/c5-1-4(8)9-2-3(6)7/h5H,1-2H2,(H,6,7)
InChIKey
NYCQHRWCDWJIEG-UHFFFAOYSA-N
Compound name
2-(2-hydroxyacetyl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

309
Patents

134.02153 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02881 122.8
[M+Na]+ 157.01075 130.0
[M-H]- 133.01425 120.6
[M+NH4]+ 152.05535 143.0
[M+K]+ 172.98469 130.5
[M+H-H2O]+ 117.01879 118.5
[M+HCOO]- 179.01973 143.8
[M+CH3COO]- 193.03538 165.2
[M+Na-2H]- 154.99620 127.4
[M]+ 134.02098 124.0
[M]- 134.02208 124.0
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.