CID 43132724

1-n-(cyclopropylmethyl)benzene-1,3-diamine

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C1CC1CNC2=CC=CC(=C2)N

InChI

InChI=1S/C10H14N2/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1-3,6,8,12H,4-5,7,11H2

InChIKey

LAWDPLXUOTYGMW-UHFFFAOYSA-N

Compound name

3-N-(cyclopropylmethyl)benzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.11569 Da
Monoisotopic Mass: 2.0
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	129.6
[M+Na]+	185.104908	137.9
[M-H]-	161.108414	136.9
[M+NH4]+	180.149513	145.0
[M+K]+	201.078848	134.4
[M+H-H2O]+	145.112950	123.1
[M+HCOO]-	207.113891	156.0
[M+CH3COO]-	221.129541	186.2
[M+Na-2H]-	183.090356	137.2
[M]+	162.11514142	129.2
[M]-	162.11623858	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.