CID 49759015

1-acetyl-7-azaindole-3-carbonitrile

Structural Information

Molecular Formula
C10H7N3O
SMILES
CC(=O)N1C=C(C2=C1N=CC=C2)C#N
InChI
InChI=1S/C10H7N3O/c1-7(14)13-6-8(5-11)9-3-2-4-12-10(9)13/h2-4,6H,1H3
InChIKey
NPAWPECQIJLNCD-UHFFFAOYSA-N
Compound name
1-acetylpyrrolo[2,3-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

185.05891 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06619 139.6
[M+Na]+ 208.04813 152.3
[M-H]- 184.05163 141.2
[M+NH4]+ 203.09273 157.6
[M+K]+ 224.02207 147.7
[M+H-H2O]+ 168.05617 125.6
[M+HCOO]- 230.05711 158.8
[M+CH3COO]- 244.07276 151.9
[M+Na-2H]- 206.03358 145.3
[M]+ 185.05836 136.9
[M]- 185.05946 136.9
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