CID 71303350

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

Structural Information

Molecular Formula
C7H7ClN2
SMILES
C1C2=C(C=CN=C2CN1)Cl
InChI
InChI=1S/C7H7ClN2/c8-6-1-2-10-7-4-9-3-5(6)7/h1-2,9H,3-4H2
InChIKey
WMBKIRYIBIRARZ-UHFFFAOYSA-N
Compound name
4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

154.02977 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.037046 128.7
[M+Na]+ 177.018988 138.6
[M-H]- 153.022494 129.0
[M+NH4]+ 172.063593 150.1
[M+K]+ 192.992928 133.9
[M+H-H2O]+ 137.027030 122.6
[M+HCOO]- 199.027971 144.3
[M+CH3COO]- 213.043621 142.0
[M+Na-2H]- 175.004436 135.7
[M]+ 154.02922142 127.3
[M]- 154.03031858 127.3
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