CID 134177162

2172931-40-5

Structural Information

Molecular Formula
C9H9ClN2O
SMILES
CCN1CC2=C(C1=O)C=CN=C2Cl
InChI
InChI=1S/C9H9ClN2O/c1-2-12-5-7-6(9(12)13)3-4-11-8(7)10/h3-4H,2,5H2,1H3
InChIKey
YQVIRPVHDIBUPB-UHFFFAOYSA-N
Compound name
4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

196.04034 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.047616 139.4
[M+Na]+ 219.029558 151.0
[M-H]- 195.033064 141.6
[M+NH4]+ 214.074163 160.4
[M+K]+ 235.003498 146.6
[M+H-H2O]+ 179.037600 133.3
[M+HCOO]- 241.038541 156.2
[M+CH3COO]- 255.054191 182.8
[M+Na-2H]- 217.015006 144.4
[M]+ 196.03979142 142.1
[M]- 196.04088858 142.1
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