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

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 139.8
[M+Na]+ 231.03762 146.7
[M-H]- 207.04112 140.7
[M+NH4]+ 226.08222 157.8
[M+K]+ 247.01156 139.7
[M+H-H2O]+ 191.04566 138.7
[M+HCOO]- 253.04660 160.0
[M+CH3COO]- 267.06225 173.8
[M+Na-2H]- 229.02307 146.1
[M]+ 208.04785 135.6
[M]- 208.04895 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