CID 21914518

3,3-diethylazetidine hydrochloride

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CCC1(CNC1)CC

InChI

InChI=1S/C7H15N/c1-3-7(4-2)5-8-6-7/h8H,3-6H2,1-2H3

InChIKey

VCPUCGKZZCQTGO-UHFFFAOYSA-N

Compound name

3,3-diethylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 113.12045 Da
Monoisotopic Mass: 1.5
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]+	114.127726	125.9
[M+Na]+	136.109668	131.8
[M-H]-	112.113174	126.8
[M+NH4]+	131.154273	142.3
[M+K]+	152.083608	133.3
[M+H-H2O]+	96.117710	116.9
[M+HCOO]-	158.118651	145.1
[M+CH3COO]-	172.134301	171.5
[M+Na-2H]-	134.095116	132.8
[M]+	113.11990142	132.3
[M]-	113.12099858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe