CID 13400658

Azetidin-3-ylmethanol

Structural Information

Molecular Formula

SMILES

C1C(CN1)CO

InChI

InChI=1S/C4H9NO/c6-3-4-1-5-2-4/h4-6H,1-3H2

InChIKey

GNVWVYIAQBJHGV-UHFFFAOYSA-N

Compound name

azetidin-3-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1208
Patents: 87.06841 Da
Monoisotopic Mass: -0.9
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]+	88.075686	114.9
[M+Na]+	110.05763	120.7
[M+NH4]+	105.10223	119.2
[M+K]+	126.03157	118.0
[M-H]-	86.061134	112.1
[M+Na-2H]-	108.04308	117.2
[M]+	87.067861	113.5
[M]-	87.068959	113.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe