CID 65298

51219-00-2

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

CCC1=CC=CC(=C1NC(C)COC)C

InChI

InChI=1S/C13H21NO/c1-5-12-8-6-7-10(2)13(12)14-11(3)9-15-4/h6-8,11,14H,5,9H2,1-4H3

InChIKey

YXWIRQHVEQIJOV-UHFFFAOYSA-N

Compound name

2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 121
Patents: 207.16231 Da
Monoisotopic Mass: 3.4
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]+	208.16959	149.4
[M+Na]+	230.15153	161.3
[M+NH4]+	225.19613	157.8
[M+K]+	246.12547	154.3
[M-H]-	206.15503	152.3
[M+Na-2H]-	228.13698	155.6
[M]+	207.16176	151.9
[M]-	207.16286	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe