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]+ 210.07608 143.9
[M+Na]+ 232.05802 149.7
[M-H]- 208.06152 145.0
[M+NH4]+ 227.10262 160.7
[M+K]+ 248.03196 148.3
[M+H-H2O]+ 192.06606 138.0
[M+HCOO]- 254.06700 164.4
[M+CH3COO]- 268.08265 184.0
[M+Na-2H]- 230.04347 146.4
[M]+ 209.06825 142.4
[M]- 209.06935 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.