CID 165792966

2137732-24-0

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
CN1CC2=C(C=CN=C2C1=O)Cl
InChI
InChI=1S/C8H7ClN2O/c1-11-4-5-6(9)2-3-10-7(5)8(11)12/h2-3H,4H2,1H3
InChIKey
HHCBCZPBTDPHPG-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.02469 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03197 134.7
[M+Na]+ 205.01391 146.7
[M-H]- 181.01741 137.1
[M+NH4]+ 200.05851 156.3
[M+K]+ 220.98785 142.5
[M+H-H2O]+ 165.02195 128.8
[M+HCOO]- 227.02289 151.9
[M+CH3COO]- 241.03854 148.9
[M+Na-2H]- 202.99936 140.2
[M]+ 182.02414 137.0
[M]- 182.02524 137.0
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.