CID 23537209

N-methyl-4-propoxyaniline

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CCCOC1=CC=C(C=C1)NC

InChI

InChI=1S/C10H15NO/c1-3-8-12-10-6-4-9(11-2)5-7-10/h4-7,11H,3,8H2,1-2H3

InChIKey

DPQQLOSQCXXZPA-UHFFFAOYSA-N

Compound name

N-methyl-4-propoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 165.11537 Da
Monoisotopic Mass: 2.7
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	135.8
[M+Na]+	188.10459	148.2
[M+NH4]+	183.14919	144.8
[M+K]+	204.07853	141.0
[M-H]-	164.10809	139.0
[M+Na-2H]-	186.09004	143.4
[M]+	165.11482	138.4
[M]-	165.11592	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe