CID 1519416

6,7-dihydro-5h-pyrrolo[3,4-b]pyridine

Structural Information

Molecular Formula
C7H8N2
SMILES
C1C2=C(CN1)N=CC=C2
InChI
InChI=1S/C7H8N2/c1-2-6-4-8-5-7(6)9-3-1/h1-3,8H,4-5H2
InChIKey
SJMNQXLXIIXDDS-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1034
Patents

120.06875 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.076026 121.8
[M+Na]+ 143.057968 130.2
[M-H]- 119.061474 122.2
[M+NH4]+ 138.102573 143.6
[M+K]+ 159.031908 127.4
[M+H-H2O]+ 103.066010 115.2
[M+HCOO]- 165.066951 142.3
[M+CH3COO]- 179.082601 135.4
[M+Na-2H]- 141.043416 130.2
[M]+ 120.06820142 118.3
[M]- 120.06929858 118.3
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