CID 54057788

5-(aminomethyl)pyridin-3-ol

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1=C(C=NC=C1O)CN
InChI
InChI=1S/C6H8N2O/c7-2-5-1-6(9)4-8-3-5/h1,3-4,9H,2,7H2
InChIKey
LXMHSJKKDQCDKN-UHFFFAOYSA-N
Compound name
5-(aminomethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

124.06366 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 122.6
[M+Na]+ 147.052878 131.1
[M-H]- 123.056384 123.6
[M+NH4]+ 142.097483 142.6
[M+K]+ 163.026818 128.9
[M+H-H2O]+ 107.060920 116.7
[M+HCOO]- 169.061861 146.1
[M+CH3COO]- 183.077511 169.5
[M+Na-2H]- 145.038326 130.6
[M]+ 124.06311142 120.2
[M]- 124.06420858 120.2
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