CID 71743819

1440519-75-4

Structural Information

Molecular Formula
C9H9ClN2O
SMILES
CC1(C2=C(C=CC(=N2)Cl)C(=O)N1)C
InChI
InChI=1S/C9H9ClN2O/c1-9(2)7-5(8(13)12-9)3-4-6(10)11-7/h3-4H,1-2H3,(H,12,13)
InChIKey
CGQDOSSFUZYSDB-UHFFFAOYSA-N
Compound name
2-chloro-7,7-dimethyl-6H-pyrrolo[3,4-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

196.04034 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04762 138.4
[M+Na]+ 219.02956 150.5
[M-H]- 195.03306 139.7
[M+NH4]+ 214.07416 160.8
[M+K]+ 235.00350 145.3
[M+H-H2O]+ 179.03760 133.3
[M+HCOO]- 241.03854 153.8
[M+CH3COO]- 255.05419 152.0
[M+Na-2H]- 217.01501 144.2
[M]+ 196.03979 139.5
[M]- 196.04089 139.5
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