CID 43436192

N1-cyclopropyl-3-methylbenzene-1,4-diamine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CC1=C(C=CC(=C1)NC2CC2)N

InChI

InChI=1S/C10H14N2/c1-7-6-9(4-5-10(7)11)12-8-2-3-8/h4-6,8,12H,2-3,11H2,1H3

InChIKey

VVFXJINSWCQLMY-UHFFFAOYSA-N

Compound name

4-N-cyclopropyl-2-methylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.11569 Da
Monoisotopic Mass: 1.8
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]+	163.122966	129.9
[M+Na]+	185.104908	139.1
[M-H]-	161.108414	137.6
[M+NH4]+	180.149513	145.6
[M+K]+	201.078848	135.5
[M+H-H2O]+	145.112950	123.6
[M+HCOO]-	207.113891	156.2
[M+CH3COO]-	221.129541	187.3
[M+Na-2H]-	183.090356	136.8
[M]+	162.11514142	129.9
[M]-	162.11623858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.