CID 2763065

129880-84-8

Structural Information

Molecular Formula

C₈H₉ClN₂O₂S

SMILES

C1COCCN1C2=NC(=C(S2)C=O)Cl

InChI

InChI=1S/C8H9ClN2O2S/c9-7-6(5-12)14-8(10-7)11-1-3-13-4-2-11/h5H,1-4H2

InChIKey

PXXGEJVHSHQARO-UHFFFAOYSA-N

Compound name

4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 232.00732 Da
Monoisotopic Mass: 1.8
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]+	233.014596	146.6
[M+Na]+	254.996538	156.0
[M-H]-	231.000044	151.5
[M+NH4]+	250.041143	163.8
[M+K]+	270.970478	153.3
[M+H-H2O]+	215.004580	140.2
[M+HCOO]-	277.005521	157.0
[M+CH3COO]-	291.021171	159.2
[M+Na-2H]-	252.981986	147.6
[M]+	232.00677142	148.6
[M]-	232.00786858	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe