CID 3022754

1,4-bis(n-propylaminomethyl)benzene dihydrochloride

Structural Information

Molecular Formula

C₁₄H₂₄N₂

SMILES

CCCNCC1=CC=C(C=C1)CNCCC

InChI

InChI=1S/C14H24N2/c1-3-9-15-11-13-5-7-14(8-6-13)12-16-10-4-2/h5-8,15-16H,3-4,9-12H2,1-2H3

InChIKey

CZWUVLXIZHIDPA-UHFFFAOYSA-N

Compound name

N-[[4-(propylaminomethyl)phenyl]methyl]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 220.19395 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]+	221.201226	154.2
[M+Na]+	243.183168	158.6
[M-H]-	219.186674	157.0
[M+NH4]+	238.227773	172.2
[M+K]+	259.157108	155.4
[M+H-H2O]+	203.191210	147.0
[M+HCOO]-	265.192151	179.1
[M+CH3COO]-	279.207801	197.4
[M+Na-2H]-	241.168616	159.6
[M]+	220.19340142	154.8
[M]-	220.19449858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe