CID 46856429

1h-pyrrolo[2,3-c]pyridine-5-carbonitrile

Structural Information

Molecular Formula
C8H5N3
SMILES
C1=CNC2=CN=C(C=C21)C#N
InChI
InChI=1S/C8H5N3/c9-4-7-3-6-1-2-10-8(6)5-11-7/h1-3,5,10H
InChIKey
HJFIVMKPHXFLBV-UHFFFAOYSA-N
Compound name
1H-pyrrolo[2,3-c]pyridine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

143.04834 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05562 128.6
[M+Na]+ 166.03756 141.0
[M-H]- 142.04106 128.7
[M+NH4]+ 161.08216 147.3
[M+K]+ 182.01150 135.6
[M+H-H2O]+ 126.04560 114.9
[M+HCOO]- 188.04654 147.5
[M+CH3COO]- 202.06219 141.0
[M+Na-2H]- 164.02301 136.7
[M]+ 143.04779 123.2
[M]- 143.04889 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe