CID 19797212

5-nitro-2,3-dihydro-1h-indole-7-carboxylic acid hydrochloride

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

2
Patents

208.0484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.055676 139.8
[M+Na]+ 231.037618 146.7
[M-H]- 207.041124 140.7
[M+NH4]+ 226.082223 157.8
[M+K]+ 247.011558 139.7
[M+H-H2O]+ 191.045660 138.7
[M+HCOO]- 253.046601 160.0
[M+CH3COO]- 267.062251 173.8
[M+Na-2H]- 229.023066 146.1
[M]+ 208.04785142 135.6
[M]- 208.04894858 135.6
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