CID 71757778

1-[6-(aminomethyl)-2-methylpyridin-3-yl]ethan-1-ol dihydrochloride

Structural Information

Molecular Formula
C9H14N2O
SMILES
CC1=C(C=CC(=N1)CN)C(C)O
InChI
InChI=1S/C9H14N2O/c1-6-9(7(2)12)4-3-8(5-10)11-6/h3-4,7,12H,5,10H2,1-2H3
InChIKey
DHGBTEWYRLRIBA-UHFFFAOYSA-N
Compound name
1-[6-(aminomethyl)-2-methyl-3-pyridinyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

166.11061 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 136.9
[M+Na]+ 189.099828 144.7
[M-H]- 165.103334 137.8
[M+NH4]+ 184.144433 155.4
[M+K]+ 205.073768 142.3
[M+H-H2O]+ 149.107870 130.7
[M+HCOO]- 211.108811 158.3
[M+CH3COO]- 225.124461 180.7
[M+Na-2H]- 187.085276 141.2
[M]+ 166.11006142 135.2
[M]- 166.11115858 135.2
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