CID 10419213

20383-23-7

Structural Information

Molecular Formula

C₇H₁₈N₂

SMILES

CNCCCCN(C)C

InChI

InChI=1S/C7H18N2/c1-8-6-4-5-7-9(2)3/h8H,4-7H2,1-3H3

InChIKey

UOTKNWSJLVKOJR-UHFFFAOYSA-N

Compound name

N,N',N'-trimethylbutane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 548
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	131.7
[M+Na]+	153.136218	136.9
[M-H]-	129.139724	133.2
[M+NH4]+	148.180823	154.0
[M+K]+	169.110158	137.8
[M+H-H2O]+	113.144260	126.1
[M+HCOO]-	175.145201	157.6
[M+CH3COO]-	189.160851	183.5
[M+Na-2H]-	151.121666	137.8
[M]+	130.14645142	133.0
[M]-	130.14754858	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe