CID 14852460

N,n,3-trimethylazetidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

CC1(CNC1)N(C)C

InChI

InChI=1S/C6H14N2/c1-6(8(2)3)4-7-5-6/h7H,4-5H2,1-3H3

InChIKey

ZUGCXQDQYRDQTR-UHFFFAOYSA-N

Compound name

N,N,3-trimethylazetidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 114.1157 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]+	115.122976	127.1
[M+Na]+	137.104918	132.4
[M-H]-	113.108424	129.5
[M+NH4]+	132.149523	143.6
[M+K]+	153.078858	135.6
[M+H-H2O]+	97.112960	117.2
[M+HCOO]-	159.113901	147.9
[M+CH3COO]-	173.129551	176.5
[M+Na-2H]-	135.090366	133.7
[M]+	114.11515142	133.5
[M]-	114.11624858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe