CID 15340377

5-amino-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC2=C(C=C1N)C=C(N2)C(=O)O
InChI
InChI=1S/C9H8N2O2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,10H2,(H,12,13)
InChIKey
NKFIBMOQAPEKNZ-UHFFFAOYSA-N
Compound name
5-amino-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3055
Patents

176.05858 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 133.6
[M+Na]+ 199.04780 143.5
[M-H]- 175.05130 134.9
[M+NH4]+ 194.09240 153.8
[M+K]+ 215.02174 139.4
[M+H-H2O]+ 159.05584 128.0
[M+HCOO]- 221.05678 156.1
[M+CH3COO]- 235.07243 176.7
[M+Na-2H]- 197.03325 139.4
[M]+ 176.05803 132.0
[M]- 176.05913 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe