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]+ 151.086596 130.6
[M+Na]+ 173.068538 139.6
[M-H]- 149.072044 131.2
[M+NH4]+ 168.113143 151.6
[M+K]+ 189.042478 136.5
[M+H-H2O]+ 133.076580 124.3
[M+HCOO]- 195.077521 149.6
[M+CH3COO]- 209.093171 172.5
[M+Na-2H]- 171.053986 135.9
[M]+ 150.07877142 127.5
[M]- 150.07986858 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.