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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 141.2
[M+Na]+ 233.05328 146.5
[M-H]- 209.05678 143.6
[M+NH4]+ 228.09788 157.8
[M+K]+ 249.02722 141.3
[M+H-H2O]+ 193.06132 139.6
[M+HCOO]- 255.06226 165.1
[M+CH3COO]- 269.07791 180.4
[M+Na-2H]- 231.03873 147.1
[M]+ 210.06351 138.5
[M]- 210.06461 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