CID 333801

3-hydroxy-2-(phenylformamido)propanoic acid

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1=CC=C(C=C1)C(=O)NC(CO)C(=O)O
InChI
InChI=1S/C10H11NO4/c12-6-8(10(14)15)11-9(13)7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,11,13)(H,14,15)
InChIKey
MWCDMTCWMZHVAQ-UHFFFAOYSA-N
Compound name
2-benzamido-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

209.0688 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 144.5
[M+Na]+ 232.05802 149.3
[M-H]- 208.06152 145.1
[M+NH4]+ 227.10262 160.9
[M+K]+ 248.03196 147.8
[M+H-H2O]+ 192.06606 138.2
[M+HCOO]- 254.06700 165.0
[M+CH3COO]- 268.08265 182.7
[M+Na-2H]- 230.04347 147.6
[M]+ 209.06825 142.5
[M]- 209.06935 142.5
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