CID 45

Tartronic acid

Structural Information

Molecular Formula
C3H4O5
SMILES
C(C(=O)O)(C(=O)O)O
InChI
InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)
InChIKey
ROBFUDYVXSDBQM-UHFFFAOYSA-N
Compound name
2-hydroxypropanedioic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

59
References

23668
Patents

120.005875 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.01315 119.0
[M+Na]+ 142.99509 125.9
[M-H]- 118.99860 115.6
[M+NH4]+ 138.03970 138.8
[M+K]+ 158.96903 126.2
[M+H-H2O]+ 103.00314 115.1
[M+HCOO]- 165.00408 137.7
[M+CH3COO]- 179.01973 161.4
[M+Na-2H]- 140.98054 122.2
[M]+ 120.00533 117.2
[M]- 120.00642 117.2
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