CID 52908295

1311314-54-1

Structural Information

Molecular Formula
C8H8N2O
SMILES
CN1C=CC2=C1C(=O)NC=C2
InChI
InChI=1S/C8H8N2O/c1-10-5-3-6-2-4-9-8(11)7(6)10/h2-5H,1H3,(H,9,11)
InChIKey
MKLDTQZQFAGIBR-UHFFFAOYSA-N
Compound name
1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

148.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 126.0
[M+Na]+ 171.052878 138.1
[M-H]- 147.056384 127.7
[M+NH4]+ 166.097483 147.5
[M+K]+ 187.026818 134.3
[M+H-H2O]+ 131.060920 119.8
[M+HCOO]- 193.061861 149.3
[M+CH3COO]- 207.077511 140.8
[M+Na-2H]- 169.038326 134.4
[M]+ 148.06311142 127.3
[M]- 148.06420858 127.3
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