CID 1493878

3-(morpholin-4-yl)-3-oxopropanethioamide

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

2
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 145.2
[M-H]- 187.05467 142.2
[M+NH4]+ 206.09577 157.1
[M+K]+ 227.02511 144.5
[M+H-H2O]+ 171.05921 134.0
[M+HCOO]- 233.06015 153.3
[M+CH3COO]- 247.07580 180.4
[M+Na-2H]- 209.03662 141.6
[M]+ 188.06140 137.1
[M]- 188.06250 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe