CID 594836

1h-indole-4-carboxamide

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC(=C2C=CNC2=C1)C(=O)N
InChI
InChI=1S/C9H8N2O/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12)
InChIKey
ACRGIRLCXXEJCS-UHFFFAOYSA-N
Compound name
1H-indole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

333
Patents

160.06366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 130.2
[M+Na]+ 183.05288 139.7
[M-H]- 159.05638 132.5
[M+NH4]+ 178.09748 151.5
[M+K]+ 199.02682 135.9
[M+H-H2O]+ 143.06092 124.3
[M+HCOO]- 205.06186 154.0
[M+CH3COO]- 219.07751 144.1
[M+Na-2H]- 181.03833 137.2
[M]+ 160.06311 128.6
[M]- 160.06421 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