CID 52908351

1311315-25-9

Structural Information

Molecular Formula
C8H10N2O
SMILES
CN1C=CC2=C1C(=O)NCC2
InChI
InChI=1S/C8H10N2O/c1-10-5-3-6-2-4-9-8(11)7(6)10/h3,5H,2,4H2,1H3,(H,9,11)
InChIKey
LMPBEJNRWDIXKS-UHFFFAOYSA-N
Compound name
1-methyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.07932 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 130.6
[M+Na]+ 173.06854 139.6
[M-H]- 149.07204 131.2
[M+NH4]+ 168.11314 151.6
[M+K]+ 189.04248 136.5
[M+H-H2O]+ 133.07658 124.3
[M+HCOO]- 195.07752 149.6
[M+CH3COO]- 209.09317 172.5
[M+Na-2H]- 171.05399 135.9
[M]+ 150.07877 127.5
[M]- 150.07987 127.5
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

No patent data available for this compound.