CID 72226358

3-(aminomethyl)pyridin-4-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.06366 Da
Monoisotopic Mass

-0.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.