CID 19101063

2-propylazetidine

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CCCC1CCN1

InChI

InChI=1S/C6H13N/c1-2-3-6-4-5-7-6/h6-7H,2-5H2,1H3

InChIKey

OGZXOVGUHFDHOO-UHFFFAOYSA-N

Compound name

2-propylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
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	120.0
[M+Na]+	122.094018	125.4
[M-H]-	98.097524	120.6
[M+NH4]+	117.138623	134.9
[M+K]+	138.067958	127.2
[M+H-H2O]+	82.102060	109.9
[M+HCOO]-	144.103001	139.5
[M+CH3COO]-	158.118651	169.0
[M+Na-2H]-	120.079466	126.5
[M]+	99.10425142	125.8
[M]-	99.10534858	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe