CID 6476194

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

Structural Information

Molecular Formula
C10H11NS2
SMILES
CSC1=CC=C(C=C1)/C=C/C(=S)N
InChI
InChI=1S/C10H11NS2/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H2,11,12)/b7-4+
InChIKey
XNULYVLDTPIUML-QPJJXVBHSA-N
Compound name
(E)-3-(4-methylsulfanylphenyl)prop-2-enethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

209.0333 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04058 142.1
[M+Na]+ 232.02252 149.6
[M-H]- 208.02602 144.9
[M+NH4]+ 227.06712 161.1
[M+K]+ 247.99646 143.5
[M+H-H2O]+ 192.03056 136.0
[M+HCOO]- 254.03150 154.6
[M+CH3COO]- 268.04715 186.7
[M+Na-2H]- 230.00797 141.8
[M]+ 209.03275 141.7
[M]- 209.03385 141.7
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.