CID 256099

6-nitro-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C9H6N2O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])NC=C2C(=O)O
InChI
InChI=1S/C9H6N2O4/c12-9(13)7-4-10-8-3-5(11(14)15)1-2-6(7)8/h1-4,10H,(H,12,13)
InChIKey
MWFVAHOPRCFNCA-UHFFFAOYSA-N
Compound name
6-nitro-1H-indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

206.03276 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04004 137.3
[M+Na]+ 229.02198 146.1
[M-H]- 205.02548 139.1
[M+NH4]+ 224.06658 155.6
[M+K]+ 244.99592 138.9
[M+H-H2O]+ 189.03002 136.2
[M+HCOO]- 251.03096 160.4
[M+CH3COO]- 265.04661 173.2
[M+Na-2H]- 227.00743 145.5
[M]+ 206.03221 135.9
[M]- 206.03331 135.9
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