CID 19797212

2613385-78-5

Structural Information

Molecular Formula
C9H8N2O4
SMILES
C1CNC2=C1C=C(C=C2C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C9H8N2O4/c12-9(13)7-4-6(11(14)15)3-5-1-2-10-8(5)7/h3-4,10H,1-2H2,(H,12,13)
InChIKey
UGSBYHSBFBUBJO-UHFFFAOYSA-N
Compound name
5-nitro-2,3-dihydro-1H-indole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

208.0484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05568 139.9
[M+Na]+ 231.03762 150.5
[M+NH4]+ 226.08222 146.7
[M+K]+ 247.01156 151.0
[M-H]- 207.04112 140.5
[M+Na-2H]- 229.02307 142.7
[M]+ 208.04785 141.0
[M]- 208.04895 141.0
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