CID 84063989

1-(azetidin-2-yl)propan-1-ol

Structural Information

Molecular Formula

SMILES

CCC(C1CCN1)O

InChI

InChI=1S/C6H13NO/c1-2-6(8)5-3-4-7-5/h5-8H,2-4H2,1H3

InChIKey

MUAXPSCDYUIYDU-UHFFFAOYSA-N

Compound name

1-(azetidin-2-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 115.09972 Da
Monoisotopic Mass: 0.3
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]+	116.106996	126.3
[M+Na]+	138.088938	130.8
[M-H]-	114.092444	125.5
[M+NH4]+	133.133543	139.7
[M+K]+	154.062878	132.6
[M+H-H2O]+	98.096980	115.9
[M+HCOO]-	160.097921	143.4
[M+CH3COO]-	174.113571	169.1
[M+Na-2H]-	136.074386	130.7
[M]+	115.09917142	130.9
[M]-	115.10026858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.