CID 23545028

3-ethyl-3-methylazetidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CCC1(CNC1)C

InChI

InChI=1S/C6H13N/c1-3-6(2)4-7-5-6/h7H,3-5H2,1-2H3

InChIKey

JCGWCOCQLMXRKE-UHFFFAOYSA-N

Compound name

3-ethyl-3-methylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 99.1048 Da
Monoisotopic Mass: 1.1
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]+	100.11208	121.3
[M+Na]+	122.09402	127.6
[M-H]-	98.097524	122.4
[M+NH4]+	117.13862	138.3
[M+K]+	138.06796	129.4
[M+H-H2O]+	82.102060	112.5
[M+HCOO]-	144.10300	140.8
[M+CH3COO]-	158.11865	168.6
[M+Na-2H]-	120.07947	128.8
[M]+	99.104251	127.4
[M]-	99.105349	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe