CID 5492884

Alanine, n-salicyloyl-

Structural Information

Molecular Formula
C10H11NO4
SMILES
C[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C10H11NO4/c1-6(10(14)15)11-9(13)7-4-2-3-5-8(7)12/h2-6,12H,1H3,(H,11,13)(H,14,15)/t6-/m0/s1
InChIKey
YJAPDGJWLZEWEH-LURJTMIESA-N
Compound name
(2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0688 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.076076 143.9
[M+Na]+ 232.058018 149.7
[M-H]- 208.061524 145.0
[M+NH4]+ 227.102623 160.7
[M+K]+ 248.031958 148.3
[M+H-H2O]+ 192.066060 138.0
[M+HCOO]- 254.067001 164.4
[M+CH3COO]- 268.082651 184.0
[M+Na-2H]- 230.043466 146.4
[M]+ 209.06825142 142.4
[M]- 209.06934858 142.4
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

No patent data available for this compound.