CID 21303298

2-(propan-2-yl)azetidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CC(C)C1CCN1

InChI

InChI=1S/C6H13N/c1-5(2)6-3-4-7-6/h5-7H,3-4H2,1-2H3

InChIKey

MDVHHYGTBKHJAU-UHFFFAOYSA-N

Compound name

2-propan-2-ylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 99.1048 Da
Monoisotopic Mass: 1.3
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	121.9
[M+Na]+	122.09402	127.0
[M-H]-	98.097524	122.6
[M+NH4]+	117.13862	136.8
[M+K]+	138.06796	129.2
[M+H-H2O]+	82.102060	111.7
[M+HCOO]-	144.10300	140.3
[M+CH3COO]-	158.11865	169.8
[M+Na-2H]-	120.07947	127.0
[M]+	99.104251	127.0
[M]-	99.105349	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe