CID 138039602

[3-(chloromethyl)-1-methylazetidin-3-yl]methanol

Structural Information

Molecular Formula

C₆H₁₂ClNO

SMILES

CN1CC(C1)(CO)CCl

InChI

InChI=1S/C6H12ClNO/c1-8-3-6(2-7,4-8)5-9/h9H,2-5H2,1H3

InChIKey

IENDKCSRNHGNPX-UHFFFAOYSA-N

Compound name

[3-(chloromethyl)-1-methylazetidin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 149.06075 Da
Monoisotopic Mass: 0.1
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]+	150.06803	125.6
[M+Na]+	172.04997	133.5
[M-H]-	148.05347	126.6
[M+NH4]+	167.09457	141.6
[M+K]+	188.02391	133.6
[M+H-H2O]+	132.05801	117.6
[M+HCOO]-	194.05895	140.9
[M+CH3COO]-	208.07460	175.3
[M+Na-2H]-	170.03542	132.2
[M]+	149.06020	135.0
[M]-	149.06130	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe