CID 12647544

Xylemin dihydrochloride

Structural Information

Molecular Formula

C₇H₁₈N₂

SMILES

CCCNCCCCN

InChI

InChI=1S/C7H18N2/c1-2-6-9-7-4-3-5-8/h9H,2-8H2,1H3

InChIKey

GHQFRBNLAGNQOE-UHFFFAOYSA-N

Compound name

N'-propylbutane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 258
Patents: 130.147 Da
Monoisotopic Mass: 0.6
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]+	131.154276	131.3
[M+Na]+	153.136218	136.4
[M-H]-	129.139724	130.7
[M+NH4]+	148.180823	152.6
[M+K]+	169.110158	135.5
[M+H-H2O]+	113.144260	125.9
[M+HCOO]-	175.145201	156.1
[M+CH3COO]-	189.160851	179.2
[M+Na-2H]-	151.121666	137.2
[M]+	130.14645142	130.3
[M]-	130.14754858	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe