CID 3043612

4-(2-aminopropyl)-n,n-dimethylaniline dihydrochloride

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

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

InChI

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

InChIKey

RWZBJXQDQJZOLY-UHFFFAOYSA-N

Compound name

4-(2-aminopropyl)-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 178.147 Da
Monoisotopic Mass: 1.9
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]+	179.15428	142.2
[M+Na]+	201.13622	147.9
[M-H]-	177.13972	146.7
[M+NH4]+	196.18082	162.3
[M+K]+	217.11016	147.0
[M+H-H2O]+	161.14426	135.6
[M+HCOO]-	223.14520	167.0
[M+CH3COO]-	237.16085	191.9
[M+Na-2H]-	199.12167	146.1
[M]+	178.14645	141.3
[M]-	178.14755	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe