CID 15290886

256657-95-1

Structural Information

Molecular Formula

C₈H₁₁ClN₂OS

SMILES

C1COCCN1C2=NC(=CS2)CCl

InChI

InChI=1S/C8H11ClN2OS/c9-5-7-6-13-8(10-7)11-1-3-12-4-2-11/h6H,1-5H2

InChIKey

YDYSHKODLGBPQN-UHFFFAOYSA-N

Compound name

4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 218.02806 Da
Monoisotopic Mass: 1.5
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]+	219.03534	143.9
[M+Na]+	241.01728	152.3
[M-H]-	217.02078	148.4
[M+NH4]+	236.06188	161.6
[M+K]+	256.99122	149.8
[M+H-H2O]+	201.02532	137.3
[M+HCOO]-	263.02626	153.9
[M+CH3COO]-	277.04191	156.3
[M+Na-2H]-	239.00273	145.5
[M]+	218.02751	144.8
[M]-	218.02861	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe