CID 182298

61520-53-4

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CCC1=CC=CC(=C1NC(C)CO)C

InChI

InChI=1S/C12H19NO/c1-4-11-7-5-6-9(2)12(11)13-10(3)8-14/h5-7,10,13-14H,4,8H2,1-3H3

InChIKey

ALFXNLHLMQREPR-UHFFFAOYSA-N

Compound name

2-(2-ethyl-6-methylanilino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 193.14667 Da
Monoisotopic Mass: 2.8
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]+	194.15395	145.3
[M+Na]+	216.13589	156.8
[M+NH4]+	211.18049	153.5
[M+K]+	232.10983	150.4
[M-H]-	192.13939	147.8
[M+Na-2H]-	214.12134	151.2
[M]+	193.14612	147.6
[M]-	193.14722	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe