CID 20517316

3-(propan-2-yl)azetidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CC(C)C1CNC1

InChI

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

InChIKey

VODADKFVZJNXGJ-UHFFFAOYSA-N

Compound name

3-propan-2-ylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 473
Patents: 99.1048 Da
Monoisotopic Mass: 1.2
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]+	100.112076	121.9
[M+Na]+	122.094018	127.0
[M-H]-	98.097524	122.6
[M+NH4]+	117.138623	136.8
[M+K]+	138.067958	129.2
[M+H-H2O]+	82.102060	111.7
[M+HCOO]-	144.103001	140.3
[M+CH3COO]-	158.118651	169.8
[M+Na-2H]-	120.079466	127.0
[M]+	99.10425142	127.0
[M]-	99.10534858	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe