CID 54595031

5-methyl-1h,6h,7h-pyrrolo[2,3-c]pyridin-7-one

Structural Information

Molecular Formula
C8H8N2O
SMILES
CC1=CC2=C(C(=O)N1)NC=C2
InChI
InChI=1S/C8H8N2O/c1-5-4-6-2-3-9-7(6)8(11)10-5/h2-4,9H,1H3,(H,10,11)
InChIKey
YNCVOFVJUZQLFT-UHFFFAOYSA-N
Compound name
5-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06366 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 126.7
[M+Na]+ 171.05288 138.4
[M-H]- 147.05638 127.1
[M+NH4]+ 166.09748 147.5
[M+K]+ 187.02682 133.7
[M+H-H2O]+ 131.06092 120.9
[M+HCOO]- 193.06186 148.6
[M+CH3COO]- 207.07751 140.9
[M+Na-2H]- 169.03833 134.7
[M]+ 148.06311 126.2
[M]- 148.06421 126.2
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.