CID 59401500

2344685-67-0

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CN(C)CC1CC(C1)N

InChI

InChI=1S/C7H16N2/c1-9(2)5-6-3-7(8)4-6/h6-7H,3-5,8H2,1-2H3

InChIKey

MHDLYGZGESVSMA-UHFFFAOYSA-N

Compound name

3-[(dimethylamino)methyl]cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 128.13135 Da
Monoisotopic Mass: 0.1
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]+	129.138626	131.1
[M+Na]+	151.120568	135.3
[M-H]-	127.124074	135.4
[M+NH4]+	146.165173	146.6
[M+K]+	167.094508	138.9
[M+H-H2O]+	111.128610	119.8
[M+HCOO]-	173.129551	154.4
[M+CH3COO]-	187.145201	185.1
[M+Na-2H]-	149.106016	134.9
[M]+	128.13080142	137.4
[M]-	128.13189858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe