CID 20848020

791850-21-0

Structural Information

Molecular Formula

C₉H₁₀N₂O₄

SMILES

C[C@H](C(=O)O)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O4/c1-6(9(12)13)10-7-2-4-8(5-3-7)11(14)15/h2-6,10H,1H3,(H,12,13)/t6-/m1/s1

InChIKey

IABGQMFXJVXIMY-ZCFIWIBFSA-N

Compound name

(2R)-2-(4-nitroanilino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 210.06406 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	211.07134	142.0
[M+Na]+	233.05328	152.4
[M+NH4]+	228.09788	148.4
[M+K]+	249.02722	151.4
[M-H]-	209.05678	143.9
[M+Na-2H]-	231.03873	146.6
[M]+	210.06351	143.5
[M]-	210.06461	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe