CID 120889

Alpha-((2-pyridylamino)methyl)cyclohexanemethanol hydrochloride

Structural Information

Molecular Formula
C13H20N2O
SMILES
C1CCC(CC1)C(CNC2=CC=CC=N2)O
InChI
InChI=1S/C13H20N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h4-5,8-9,11-12,16H,1-3,6-7,10H2,(H,14,15)
InChIKey
AWBDNFNPUYFLNI-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(pyridin-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.15756 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 151.3
[M+Na]+ 243.14678 153.6
[M-H]- 219.15028 153.7
[M+NH4]+ 238.19138 166.5
[M+K]+ 259.12072 150.4
[M+H-H2O]+ 203.15482 143.0
[M+HCOO]- 265.15576 169.1
[M+CH3COO]- 279.17141 187.9
[M+Na-2H]- 241.13223 155.7
[M]+ 220.15701 144.4
[M]- 220.15811 144.4
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