CID 131558213

2580209-71-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.064 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.071276 128.9
[M+Na]+ 168.053218 139.6
[M-H]- 144.056724 128.6
[M+NH4]+ 163.097823 147.5
[M+K]+ 184.027158 134.6
[M+H-H2O]+ 128.061260 115.3
[M+HCOO]- 190.062201 145.4
[M+CH3COO]- 204.077851 140.5
[M+Na-2H]- 166.038666 135.5
[M]+ 145.06345142 121.2
[M]- 145.06454858 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

No patent data available for this compound.