CID 54775728

2-(methylamino)-2-(pyridin-3-yl)ethan-1-ol dihydrochloride

Structural Information

Molecular Formula
C8H12N2O
SMILES
CNC(CO)C1=CN=CC=C1
InChI
InChI=1S/C8H12N2O/c1-9-8(6-11)7-3-2-4-10-5-7/h2-5,8-9,11H,6H2,1H3
InChIKey
PLCAPZHXWKSMIF-UHFFFAOYSA-N
Compound name
2-(methylamino)-2-pyridin-3-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

152.09496 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 131.9
[M+Na]+ 175.084178 138.2
[M-H]- 151.087684 132.7
[M+NH4]+ 170.128783 150.6
[M+K]+ 191.058118 136.4
[M+H-H2O]+ 135.092220 125.3
[M+HCOO]- 197.093161 154.3
[M+CH3COO]- 211.108811 176.0
[M+Na-2H]- 173.069626 139.4
[M]+ 152.09441142 130.1
[M]- 152.09550858 130.1
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