CID 59830951

2,3,3-trihydroxypropanoic acid

Structural Information

Molecular Formula
C3H6O5
SMILES
C(C(O)O)(C(=O)O)O
InChI
InChI=1S/C3H6O5/c4-1(2(5)6)3(7)8/h1-2,4-6H,(H,7,8)
InChIKey
JLQOMQVZUFQCTG-UHFFFAOYSA-N
Compound name
2,3,3-trihydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

6
Patents

122.02152 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.02880 121.5
[M+Na]+ 145.01074 127.6
[M-H]- 121.01424 116.6
[M+NH4]+ 140.05534 140.5
[M+K]+ 160.98468 127.7
[M+H-H2O]+ 105.01878 117.6
[M+HCOO]- 167.01972 138.5
[M+CH3COO]- 181.03537 159.9
[M+Na-2H]- 142.99619 124.0
[M]+ 122.02097 118.5
[M]- 122.02207 118.5
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