CID 13329270

1,1'-(m-tolylimino)dipropan-2-ol

Structural Information

Molecular Formula

C₁₃H₂₁NO₂

SMILES

CC1=CC(=CC=C1)N(CC(C)O)CC(C)O

InChI

InChI=1S/C13H21NO2/c1-10-5-4-6-13(7-10)14(8-11(2)15)9-12(3)16/h4-7,11-12,15-16H,8-9H2,1-3H3

InChIKey

AGRSZBOCZMNJIN-UHFFFAOYSA-N

Compound name

1-[N-(2-hydroxypropyl)-3-methylanilino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 223.15723 Da
Monoisotopic Mass: 2.3
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]+	224.164506	154.2
[M+Na]+	246.146448	158.7
[M-H]-	222.149954	156.1
[M+NH4]+	241.191053	171.5
[M+K]+	262.120388	157.4
[M+H-H2O]+	206.154490	147.8
[M+HCOO]-	268.155431	174.4
[M+CH3COO]-	282.171081	193.5
[M+Na-2H]-	244.131896	155.5
[M]+	223.15668142	154.2
[M]-	223.15777858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe