CID 316367

32501-05-6

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1C2=C(C=CC=N2)NC1=O
InChI
InChI=1S/C7H6N2O/c10-7-4-6-5(9-7)2-1-3-8-6/h1-3H,4H2,(H,9,10)
InChIKey
IHRRHTILSRVFPW-UHFFFAOYSA-N
Compound name
1,3-dihydropyrrolo[3,2-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

622
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 125.0
[M+Na]+ 157.03724 137.4
[M+NH4]+ 152.08184 133.7
[M+K]+ 173.01118 133.2
[M-H]- 133.04074 125.6
[M+Na-2H]- 155.02269 130.7
[M]+ 134.04747 126.7
[M]- 134.04857 126.7
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