CID 120619

55-70-9

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CC(CNC1=CC=CC=C1)N(C)C

InChI

InChI=1S/C11H18N2/c1-10(13(2)3)9-12-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3

InChIKey

DMQPDRCPDYVNQX-UHFFFAOYSA-N

Compound name

2-N,2-N-dimethyl-1-N-phenylpropane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 178.147 Da
Monoisotopic Mass: 2.4
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]+	179.154276	142.0
[M+Na]+	201.136218	146.7
[M-H]-	177.139724	146.6
[M+NH4]+	196.180823	162.1
[M+K]+	217.110158	146.1
[M+H-H2O]+	161.144260	135.1
[M+HCOO]-	223.145201	167.5
[M+CH3COO]-	237.160851	191.5
[M+Na-2H]-	199.121666	147.7
[M]+	178.14645142	141.8
[M]-	178.14754858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe