CID 13674771

1-(2,6-dimethylphenylamino)-propan-2-ol

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

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

InChI

InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)12-7-10(3)13/h4-6,10,12-13H,7H2,1-3H3

InChIKey

NSMNHUXUNWOYTG-UHFFFAOYSA-N

Compound name

1-(2,6-dimethylanilino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 179.13101 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]+	180.13829	140.7
[M+Na]+	202.12023	147.6
[M-H]-	178.12373	143.3
[M+NH4]+	197.16483	160.4
[M+K]+	218.09417	145.3
[M+H-H2O]+	162.12827	135.1
[M+HCOO]-	224.12921	163.4
[M+CH3COO]-	238.14486	184.8
[M+Na-2H]-	200.10568	145.0
[M]+	179.13046	140.3
[M]-	179.13156	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe