CID 1519417

1h,2h,3h-pyrrolo[3,4-c]pyridine dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

735
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

literature stripe

Patent stripe

patents stripe