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-methylpyridin-3-yl]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]+ 167.11789 136.9
[M+Na]+ 189.09983 144.7
[M-H]- 165.10333 137.8
[M+NH4]+ 184.14443 155.4
[M+K]+ 205.07377 142.3
[M+H-H2O]+ 149.10787 130.7
[M+HCOO]- 211.10881 158.3
[M+CH3COO]- 225.12446 180.7
[M+Na-2H]- 187.08528 141.2
[M]+ 166.11006 135.2
[M]- 166.11116 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