CID 17886154

2-methoxy-5-methyl-n-propylaniline

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CCCNC1=C(C=CC(=C1)C)OC

InChI

InChI=1S/C11H17NO/c1-4-7-12-10-8-9(2)5-6-11(10)13-3/h5-6,8,12H,4,7H2,1-3H3

InChIKey

MMQRFEFVLVWALN-UHFFFAOYSA-N

Compound name

2-methoxy-5-methyl-N-propylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 179.13101 Da
Monoisotopic Mass: 3.1
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	139.6
[M+Na]+	202.12023	147.2
[M-H]-	178.12373	143.5
[M+NH4]+	197.16483	160.1
[M+K]+	218.09417	145.4
[M+H-H2O]+	162.12827	133.7
[M+HCOO]-	224.12921	164.8
[M+CH3COO]-	238.14486	186.5
[M+Na-2H]-	200.10568	145.7
[M]+	179.13046	141.8
[M]-	179.13156	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe