CID 28451231

2375261-19-9

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CCNC1=C(C=CC(=C1)C)OC

InChI

InChI=1S/C10H15NO/c1-4-11-9-7-8(2)5-6-10(9)12-3/h5-7,11H,4H2,1-3H3

InChIKey

YFUZGYMEYDWBTN-UHFFFAOYSA-N

Compound name

N-ethyl-2-methoxy-5-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 165.11537 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]+	166.12265	135.4
[M+Na]+	188.10459	148.3
[M+NH4]+	183.14919	144.5
[M+K]+	204.07853	141.2
[M-H]-	164.10809	138.7
[M+Na-2H]-	186.09004	142.8
[M]+	165.11482	138.2
[M]-	165.11592	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe