CID 3014132

3-thioxobutyramide hydrochloride

Structural Information

Molecular Formula
C4H7NOS
SMILES
CC(=S)CC(=O)N
InChI
InChI=1S/C4H7NOS/c1-3(7)2-4(5)6/h2H2,1H3,(H2,5,6)
InChIKey
SEEGHLNEDFXDTO-UHFFFAOYSA-N
Compound name
3-sulfanylidenebutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

117.02483 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.032106 122.0
[M+Na]+ 140.014048 129.1
[M-H]- 116.017554 122.2
[M+NH4]+ 135.058653 144.3
[M+K]+ 155.987988 127.9
[M+H-H2O]+ 100.022090 117.2
[M+HCOO]- 162.023031 139.6
[M+CH3COO]- 176.038681 170.9
[M+Na-2H]- 137.999496 123.3
[M]+ 117.02428142 121.4
[M]- 117.02537858 121.4
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

patents stripe