CID 20765237

2-oxopropanethioamide

Structural Information

Molecular Formula
C3H5NOS
SMILES
CC(=O)C(=S)N
InChI
InChI=1S/C3H5NOS/c1-2(5)3(4)6/h1H3,(H2,4,6)
InChIKey
CUDPUYMADCMXBY-UHFFFAOYSA-N
Compound name
2-oxopropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

103.009186 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.01646 117.5
[M+Na]+ 125.99840 125.0
[M-H]- 102.00191 117.9
[M+NH4]+ 121.04301 140.3
[M+K]+ 141.97234 124.1
[M+H-H2O]+ 86.006446 112.9
[M+HCOO]- 148.00739 135.5
[M+CH3COO]- 162.02304 167.8
[M+Na-2H]- 123.98385 119.3
[M]+ 103.00864 116.5
[M]- 103.00973 116.5
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