CID 15853

Dibutadiamin dihydrochloride

Structural Information

Molecular Formula

C₈H₂₀N₂

SMILES

CC(C)(C)NCCCCN

InChI

InChI=1S/C8H20N2/c1-8(2,3)10-7-5-4-6-9/h10H,4-7,9H2,1-3H3

InChIKey

JAUBXQBMUWRRNS-UHFFFAOYSA-N

Compound name

N'-tert-butylbutane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 83
Patents: 144.16264 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]+	145.169916	136.6
[M+Na]+	167.151858	141.8
[M-H]-	143.155364	136.2
[M+NH4]+	162.196463	157.6
[M+K]+	183.125798	141.0
[M+H-H2O]+	127.159900	131.7
[M+HCOO]-	189.160841	159.5
[M+CH3COO]-	203.176491	181.9
[M+Na-2H]-	165.137306	142.4
[M]+	144.16209142	135.3
[M]-	144.16318858	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe