CID 72214771

1346808-69-2

Structural Information

Molecular Formula
C8H7N3
SMILES
C1C2=C(CN1)N=CC(=C2)C#N
InChI
InChI=1S/C8H7N3/c9-2-6-1-7-4-10-5-8(7)11-3-6/h1,3,10H,4-5H2
InChIKey
KLKLMLVWYAYVHS-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

145.064 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.07128 128.9
[M+Na]+ 168.05322 139.6
[M-H]- 144.05672 128.6
[M+NH4]+ 163.09782 147.5
[M+K]+ 184.02716 134.6
[M+H-H2O]+ 128.06126 115.3
[M+HCOO]- 190.06220 145.4
[M+CH3COO]- 204.07785 140.5
[M+Na-2H]- 166.03867 135.5
[M]+ 145.06345 121.2
[M]- 145.06455 121.2
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