CID 90189

23578-35-0

Structural Information

Molecular Formula

C₈H₂₀N₂

SMILES

CC(C)(CCC(C)(C)N)N

InChI

InChI=1S/C8H20N2/c1-7(2,9)5-6-8(3,4)10/h5-6,9-10H2,1-4H3

InChIKey

JWTVQZQPKHXGFM-UHFFFAOYSA-N

Compound name

2,5-dimethylhexane-2,5-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 4119
Patents: 144.16264 Da
Monoisotopic Mass: 0.3
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	136.1
[M+Na]+	167.151858	141.7
[M-H]-	143.155364	135.5
[M+NH4]+	162.196463	156.9
[M+K]+	183.125798	140.9
[M+H-H2O]+	127.159900	131.9
[M+HCOO]-	189.160841	156.8
[M+CH3COO]-	203.176491	182.4
[M+Na-2H]-	165.137306	141.7
[M]+	144.16209142	133.4
[M]-	144.16318858	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe