CID 214609

1-butanone, 4-morpholino-1-(2-thiazolyl)-, hydrochloride

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
C1COCCN1CCCC(=O)C2=NC=CS2
InChI
InChI=1S/C11H16N2O2S/c14-10(11-12-3-9-16-11)2-1-4-13-5-7-15-8-6-13/h3,9H,1-2,4-8H2
InChIKey
GHKXBFMKQKQYJH-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-1-(1,3-thiazol-2-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.09325 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 153.4
[M+Na]+ 263.08247 158.9
[M-H]- 239.08597 157.3
[M+NH4]+ 258.12707 168.9
[M+K]+ 279.05641 157.6
[M+H-H2O]+ 223.09051 145.6
[M+HCOO]- 285.09145 166.6
[M+CH3COO]- 299.10710 187.1
[M+Na-2H]- 261.06792 153.8
[M]+ 240.09270 153.5
[M]- 240.09380 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.