CID 594832

1h-indole-2-carboxamide

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC=C2C(=C1)C=C(N2)C(=O)N
InChI
InChI=1S/C9H8N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H2,10,12)
InChIKey
VFHUJFBEFDVZPJ-UHFFFAOYSA-N
Compound name
1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

4617
Patents

160.06366 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 130.2
[M+Na]+ 183.052878 139.7
[M-H]- 159.056384 132.5
[M+NH4]+ 178.097483 151.5
[M+K]+ 199.026818 135.9
[M+H-H2O]+ 143.060920 124.3
[M+HCOO]- 205.061861 154.0
[M+CH3COO]- 219.077511 144.1
[M+Na-2H]- 181.038326 137.2
[M]+ 160.06311142 128.6
[M]- 160.06420858 128.6
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