CID 21117573

Schembl1285965

Structural Information

Molecular Formula
C11H13NO4
SMILES
CC([C@@H](C(=O)O)NC(=O)C1=CC=CC=C1)O
InChI
InChI=1S/C11H13NO4/c1-7(13)9(11(15)16)12-10(14)8-5-3-2-4-6-8/h2-7,9,13H,1H3,(H,12,14)(H,15,16)/t7?,9-/m0/s1
InChIKey
IOQIWWTVXOPYQR-NETXQHHPSA-N
Compound name
(2S)-2-benzamido-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

223.08446 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 149.2
[M+Na]+ 246.073678 153.3
[M-H]- 222.077184 149.8
[M+NH4]+ 241.118283 165.0
[M+K]+ 262.047618 152.2
[M+H-H2O]+ 206.081720 142.9
[M+HCOO]- 268.082661 168.4
[M+CH3COO]- 282.098311 186.7
[M+Na-2H]- 244.059126 150.6
[M]+ 223.08391142 147.0
[M]- 223.08500858 147.0
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

patents stripe