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
3
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]+ 121.07603 121.8
[M+Na]+ 143.05797 130.2
[M-H]- 119.06147 122.2
[M+NH4]+ 138.10257 143.6
[M+K]+ 159.03191 127.4
[M+H-H2O]+ 103.06601 115.2
[M+HCOO]- 165.06695 142.3
[M+CH3COO]- 179.08260 135.4
[M+Na-2H]- 141.04342 130.2
[M]+ 120.06820 118.3
[M]- 120.06930 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