CID 259192

5-methylindole-3-acetamide

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC1=CC2=C(C=C1)NC=C2CC(=O)N
InChI
InChI=1S/C11H12N2O/c1-7-2-3-10-9(4-7)8(6-13-10)5-11(12)14/h2-4,6,13H,5H2,1H3,(H2,12,14)
InChIKey
VQXXRQMLQUGSQL-UHFFFAOYSA-N
Compound name
2-(5-methyl-1H-indol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

188.09496 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 139.7
[M+Na]+ 211.084178 149.2
[M-H]- 187.087684 142.0
[M+NH4]+ 206.128783 160.1
[M+K]+ 227.058118 145.0
[M+H-H2O]+ 171.092220 133.6
[M+HCOO]- 233.093161 162.7
[M+CH3COO]- 247.108811 183.0
[M+Na-2H]- 209.069626 144.8
[M]+ 188.09441142 139.1
[M]- 188.09550858 139.1
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