CID 43436189

3-methyl-n1-propylbenzene-1,4-diamine

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CCCNC1=CC(=C(C=C1)N)C

InChI

InChI=1S/C10H16N2/c1-3-6-12-9-4-5-10(11)8(2)7-9/h4-5,7,12H,3,6,11H2,1-2H3

InChIKey

CJMCVBWOWZEJIB-UHFFFAOYSA-N

Compound name

2-methyl-4-N-propylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 164.13135 Da
Monoisotopic Mass: 2.1
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]+	165.138626	136.5
[M+Na]+	187.120568	143.7
[M-H]-	163.124074	140.0
[M+NH4]+	182.165173	156.9
[M+K]+	203.094508	141.1
[M+H-H2O]+	147.128610	130.5
[M+HCOO]-	209.129551	162.1
[M+CH3COO]-	223.145201	185.7
[M+Na-2H]-	185.106016	142.3
[M]+	164.13080142	135.0
[M]-	164.13189858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe