CID 14846981

1315367-44-2

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1=CC(=O)NC=C1CN
InChI
InChI=1S/C6H8N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,3,7H2,(H,8,9)
InChIKey
CSVYITCBZGOVBG-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

163
Patents

124.06366 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 121.9
[M+Na]+ 147.05288 130.6
[M-H]- 123.05638 122.9
[M+NH4]+ 142.09748 141.8
[M+K]+ 163.02682 127.8
[M+H-H2O]+ 107.06092 116.0
[M+HCOO]- 169.06186 145.5
[M+CH3COO]- 183.07751 168.7
[M+Na-2H]- 145.03833 129.8
[M]+ 124.06311 118.7
[M]- 124.06421 118.7
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