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]+ 149.070936 126.7
[M+Na]+ 171.052878 138.4
[M-H]- 147.056384 127.1
[M+NH4]+ 166.097483 147.5
[M+K]+ 187.026818 133.7
[M+H-H2O]+ 131.060920 120.9
[M+HCOO]- 193.061861 148.6
[M+CH3COO]- 207.077511 140.9
[M+Na-2H]- 169.038326 134.7
[M]+ 148.06311142 126.2
[M]- 148.06420858 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.