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

12
Patents

210.06406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.071336 141.2
[M+Na]+ 233.053278 146.5
[M-H]- 209.056784 143.6
[M+NH4]+ 228.097883 157.8
[M+K]+ 249.027218 141.3
[M+H-H2O]+ 193.061320 139.6
[M+HCOO]- 255.062261 165.1
[M+CH3COO]- 269.077911 180.4
[M+Na-2H]- 231.038726 147.1
[M]+ 210.06351142 138.5
[M]- 210.06460858 138.5
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