CID 12146848

2-(1h-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile

Structural Information

Molecular Formula
C9H7N3
SMILES
C1=CC2=C(C(=CN2)CC#N)N=C1
InChI
InChI=1S/C9H7N3/c10-4-3-7-6-12-8-2-1-5-11-9(7)8/h1-2,5-6,12H,3H2
InChIKey
DBEHPSDNEHUNLN-UHFFFAOYSA-N
Compound name
2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

157.064 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07128 135.0
[M+Na]+ 180.05322 148.1
[M+NH4]+ 175.09782 140.2
[M+K]+ 196.02716 139.6
[M-H]- 156.05672 128.9
[M+Na-2H]- 178.03867 139.3
[M]+ 157.06345 134.3
[M]- 157.06455 134.3
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

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