CID 71758441

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

Structural Information

Molecular Formula
C8H10N2O
SMILES
CN1C=C2C(=CC1=O)CCN2
InChI
InChI=1S/C8H10N2O/c1-10-5-7-6(2-3-9-7)4-8(10)11/h4-5,9H,2-3H2,1H3
InChIKey
YVNJYIVGFDDEFX-UHFFFAOYSA-N
Compound name
6-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-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 129.1
[M+Na]+ 173.068538 139.1
[M-H]- 149.072044 130.1
[M+NH4]+ 168.113143 150.2
[M+K]+ 189.042478 135.8
[M+H-H2O]+ 133.076580 122.8
[M+HCOO]- 195.077521 149.5
[M+CH3COO]- 209.093171 142.8
[M+Na-2H]- 171.053986 135.4
[M]+ 150.07877142 127.4
[M]- 150.07986858 127.4
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.