CID 71311311

177987-93-8

Structural Information

Molecular Formula

C₆H₂₀N₆

SMILES

C(C(C(C(C(CN)N)N)N)N)N

InChI

InChI=1S/C6H20N6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6H,1-2,7-12H2

InChIKey

PIJGCIFQPQGTTG-UHFFFAOYSA-N

Compound name

hexane-1,2,3,4,5,6-hexamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 176.17494 Da
Monoisotopic Mass: -5.2
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]+	177.18222	141.4
[M+Na]+	199.16416	142.8
[M-H]-	175.16766	138.8
[M+NH4]+	194.20876	157.4
[M+K]+	215.13810	143.3
[M+H-H2O]+	159.17220	133.8
[M+HCOO]-	221.17314	163.2
[M+CH3COO]-	235.18879	198.9
[M+Na-2H]-	197.14961	138.3
[M]+	176.17439	129.3
[M]-	176.17549	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe