CID 10796739

(4-aminopyridin-3-yl)methanol

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1=CN=CC(=C1N)CO
InChI
InChI=1S/C6H8N2O/c7-6-1-2-8-3-5(6)4-9/h1-3,9H,4H2,(H2,7,8)
InChIKey
WNBVEYMTVDMSFZ-UHFFFAOYSA-N
Compound name
(4-aminopyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

115
Patents

124.06366 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 122.6
[M+Na]+ 147.05288 131.1
[M-H]- 123.05638 123.6
[M+NH4]+ 142.09748 142.6
[M+K]+ 163.02682 128.9
[M+H-H2O]+ 107.06092 116.7
[M+HCOO]- 169.06186 146.1
[M+CH3COO]- 183.07751 169.5
[M+Na-2H]- 145.03833 130.6
[M]+ 124.06311 120.2
[M]- 124.06421 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

literature stripe

Patent stripe

patents stripe