CID 6476195

(e)-3-(4-ethylsulfanylphenyl)prop-2-enethioamide

Structural Information

Molecular Formula
C11H13NS2
SMILES
CCSC1=CC=C(C=C1)/C=C/C(=S)N
InChI
InChI=1S/C11H13NS2/c1-2-14-10-6-3-9(4-7-10)5-8-11(12)13/h3-8H,2H2,1H3,(H2,12,13)/b8-5+
InChIKey
DVCOZTGZUXEQTR-VMPITWQZSA-N
Compound name
(E)-3-(4-ethylsulfanylphenyl)prop-2-enethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.04893 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05621 146.3
[M+Na]+ 246.03815 153.4
[M-H]- 222.04165 148.9
[M+NH4]+ 241.08275 164.7
[M+K]+ 262.01209 147.0
[M+H-H2O]+ 206.04619 140.0
[M+HCOO]- 268.04713 158.5
[M+CH3COO]- 282.06278 189.6
[M+Na-2H]- 244.02360 145.5
[M]+ 223.04838 146.2
[M]- 223.04948 146.2
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

No patent data available for this compound.