CID 13563588

131052-62-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

124.06366 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 121.9
[M+Na]+ 147.052878 130.6
[M-H]- 123.056384 122.9
[M+NH4]+ 142.097483 141.8
[M+K]+ 163.026818 127.8
[M+H-H2O]+ 107.060920 116.0
[M+HCOO]- 169.061861 145.5
[M+CH3COO]- 183.077511 168.7
[M+Na-2H]- 145.038326 129.8
[M]+ 124.06311142 118.7
[M]- 124.06420858 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

No literature data available for this compound.

Patent stripe

patents stripe