CID 11643933

1h,2h,3h-pyrrolo[2,3-c]pyridin-2-one hydrochloride

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1C2=C(C=NC=C2)NC1=O
InChI
InChI=1S/C7H6N2O/c10-7-3-5-1-2-8-4-6(5)9-7/h1-2,4H,3H2,(H,9,10)
InChIKey
HUCXRCCJHDFVCI-UHFFFAOYSA-N
Compound name
1,3-dihydropyrrolo[2,3-c]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

358
Patents

134.04802 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 124.0
[M+Na]+ 157.03724 133.5
[M-H]- 133.04074 124.8
[M+NH4]+ 152.08184 145.4
[M+K]+ 173.01118 130.5
[M+H-H2O]+ 117.04528 117.7
[M+HCOO]- 179.04622 144.9
[M+CH3COO]- 193.06187 137.8
[M+Na-2H]- 155.02269 131.7
[M]+ 134.04747 121.6
[M]- 134.04857 121.7
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