CID 16769632

67513-14-8

Structural Information

Molecular Formula
C9H9N3O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NCC(=O)O
InChI
InChI=1S/C9H9N3O5/c13-8(14)5-10-9(15)11-6-2-1-3-7(4-6)12(16)17/h1-4H,5H2,(H,13,14)(H2,10,11,15)
InChIKey
DMZBNWBHPVSYBK-UHFFFAOYSA-N
Compound name
2-[(3-nitrophenyl)carbamoylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

239.05421 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06149 145.6
[M+Na]+ 262.04343 150.1
[M-H]- 238.04693 147.9
[M+NH4]+ 257.08803 160.5
[M+K]+ 278.01737 145.0
[M+H-H2O]+ 222.05147 143.2
[M+HCOO]- 284.05241 170.8
[M+CH3COO]- 298.06806 185.3
[M+Na-2H]- 260.02888 152.2
[M]+ 239.05366 142.5
[M]- 239.05476 142.5
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