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

4
Patents

152.09496 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 131.9
[M+Na]+ 175.08418 138.2
[M-H]- 151.08768 132.7
[M+NH4]+ 170.12878 150.6
[M+K]+ 191.05812 136.4
[M+H-H2O]+ 135.09222 125.3
[M+HCOO]- 197.09316 154.3
[M+CH3COO]- 211.10881 176.0
[M+Na-2H]- 173.06963 139.4
[M]+ 152.09441 130.1
[M]- 152.09551 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