CID 85412290

4-amino-4-(pyridin-3-yl)butan-1-ol

Structural Information

Molecular Formula
C9H14N2O
SMILES
C1=CC(=CN=C1)C(CCCO)N
InChI
InChI=1S/C9H14N2O/c10-9(4-2-6-12)8-3-1-5-11-7-8/h1,3,5,7,9,12H,2,4,6,10H2
InChIKey
KGHCMNWTCFZSDK-UHFFFAOYSA-N
Compound name
4-amino-4-pyridin-3-ylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

166.11061 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 137.0
[M+Na]+ 189.099828 142.8
[M-H]- 165.103334 137.0
[M+NH4]+ 184.144433 154.8
[M+K]+ 205.073768 140.4
[M+H-H2O]+ 149.107870 130.2
[M+HCOO]- 211.108811 158.4
[M+CH3COO]- 225.124461 178.4
[M+Na-2H]- 187.085276 142.8
[M]+ 166.11006142 134.5
[M]- 166.11115858 134.5
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