CID 1493878

89984-45-2

Structural Information

Molecular Formula
C7H12N2O2S
SMILES
C1COCCN1C(=O)CC(=S)N
InChI
InChI=1S/C7H12N2O2S/c8-6(12)5-7(10)9-1-3-11-4-2-9/h1-5H2,(H2,8,12)
InChIKey
WNKGERRTWOSDEM-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-3-oxopropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06195 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06923 140.7
[M+Na]+ 211.05117 148.6
[M+NH4]+ 206.09577 147.7
[M+K]+ 227.02511 143.2
[M-H]- 187.05467 142.3
[M+Na-2H]- 209.03662 142.8
[M]+ 188.06140 142.3
[M]- 188.06250 142.3
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.