CID 104477

53369-71-4

Structural Information

Molecular Formula

C₇H₁₈N₂

SMILES

CC(C)(CN)CN(C)C

InChI

InChI=1S/C7H18N2/c1-7(2,5-8)6-9(3)4/h5-6,8H2,1-4H3

InChIKey

ULDIVZQLPBUHAG-UHFFFAOYSA-N

Compound name

N',N',2,2-tetramethylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1464
Patents: 130.147 Da
Monoisotopic Mass: 0.5
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	131.6
[M+Na]+	153.136218	137.4
[M-H]-	129.139724	132.9
[M+NH4]+	148.180823	153.8
[M+K]+	169.110158	138.2
[M+H-H2O]+	113.144260	126.7
[M+HCOO]-	175.145201	155.4
[M+CH3COO]-	189.160851	183.0
[M+Na-2H]-	151.121666	137.3
[M]+	130.14645142	131.4
[M]-	130.14754858	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe