CID 56842512

84540-69-2

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

CC1=CC=CC(=N)N1CC(CO)O

InChI

InChI=1S/C9H14N2O2/c1-7-3-2-4-9(10)11(7)5-8(13)6-12/h2-4,8,10,12-13H,5-6H2,1H3

InChIKey

QLZJITQBDFTQAD-UHFFFAOYSA-N

Compound name

3-(2-imino-6-methyl-1-pyridinyl)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.10553 Da
Monoisotopic Mass: -0.5
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]+	183.112806	139.1
[M+Na]+	205.094748	146.6
[M-H]-	181.098254	139.1
[M+NH4]+	200.139353	156.4
[M+K]+	221.068688	143.6
[M+H-H2O]+	165.102790	132.9
[M+HCOO]-	227.103731	160.0
[M+CH3COO]-	241.119381	180.2
[M+Na-2H]-	203.080196	143.9
[M]+	182.10498142	137.3
[M]-	182.10607858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.