CID 56050

1,4-butanediamine, n-isobutyl-

Structural Information

Molecular Formula

C₈H₂₀N₂

SMILES

CC(C)CNCCCCN

InChI

InChI=1S/C8H20N2/c1-8(2)7-10-6-4-3-5-9/h8,10H,3-7,9H2,1-2H3

InChIKey

NPTOAGPGIORAQT-UHFFFAOYSA-N

Compound name

N'-(2-methylpropyl)butane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 144.16264 Da
Monoisotopic Mass: 0.9
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]+	145.169916	137.1
[M+Na]+	167.151858	141.5
[M-H]-	143.155364	136.4
[M+NH4]+	162.196463	157.8
[M+K]+	183.125798	140.8
[M+H-H2O]+	127.159900	131.5
[M+HCOO]-	189.160841	160.6
[M+CH3COO]-	203.176491	183.1
[M+Na-2H]-	165.137306	141.1
[M]+	144.16209142	135.8
[M]-	144.16318858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe