CID 3032360

817-97-0

Structural Information

Molecular Formula
C6H11NOS
SMILES
CCOC(=S)NCC=C
InChI
InChI=1S/C6H11NOS/c1-3-5-7-6(9)8-4-2/h3H,1,4-5H2,2H3,(H,7,9)
InChIKey
ZRPRNLNEYWYWLO-UHFFFAOYSA-N
Compound name
O-ethyl N-prop-2-enylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

145.05614 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06342 130.4
[M+Na]+ 168.04536 137.2
[M-H]- 144.04886 130.9
[M+NH4]+ 163.08996 152.2
[M+K]+ 184.01930 135.4
[M+H-H2O]+ 128.05340 125.3
[M+HCOO]- 190.05434 149.2
[M+CH3COO]- 204.06999 175.4
[M+Na-2H]- 166.03081 133.0
[M]+ 145.05559 132.1
[M]- 145.05669 132.1
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