CID 14140

Alpha-((5-methyl-2-pyridylamino)methyl)benzyl alcohol hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₆N₂O

SMILES

CC1=CN=C(C=C1)NCC(C2=CC=CC=C2)O

InChI

InChI=1S/C14H16N2O/c1-11-7-8-14(15-9-11)16-10-13(17)12-5-3-2-4-6-12/h2-9,13,17H,10H2,1H3,(H,15,16)

InChIKey

PEPAPQLAWVWSMV-UHFFFAOYSA-N

Compound name

2-[(5-methyl-2-pyridinyl)amino]-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 228.12627 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	229.133546	151.8
[M+Na]+	251.115488	157.8
[M-H]-	227.118994	155.7
[M+NH4]+	246.160093	167.2
[M+K]+	267.089428	153.7
[M+H-H2O]+	211.123530	143.6
[M+HCOO]-	273.124471	173.7
[M+CH3COO]-	287.140121	191.0
[M+Na-2H]-	249.100936	158.1
[M]+	228.12572142	150.0
[M]-	228.12681858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe