CID 752

Glyceric acid

Structural Information

Molecular Formula
C3H6O4
SMILES
C(C(C(=O)O)O)O
InChI
InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)
InChIKey
RBNPOMFGQQGHHO-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

385
References

53383
Patents

106.02661 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.03389 118.1
[M+Na]+ 129.01583 125.0
[M-H]- 105.01933 114.6
[M+NH4]+ 124.06043 138.7
[M+K]+ 144.98977 124.9
[M+H-H2O]+ 89.023870 114.3
[M+HCOO]- 151.02481 137.4
[M+CH3COO]- 165.04046 159.1
[M+Na-2H]- 127.00128 122.5
[M]+ 106.02606 116.2
[M]- 106.02716 116.2
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