CID 9588954

(e)-2-(1-(5-methyl-2-thienyl)ethylidene)hydrazinecarbothioamide

Structural Information

Molecular Formula
C8H11N3S2
SMILES
CC1=CC=C(S1)/C(=N/NC(=S)N)/C
InChI
InChI=1S/C8H11N3S2/c1-5-3-4-7(13-5)6(2)10-11-8(9)12/h3-4H,1-2H3,(H3,9,11,12)/b10-6+
InChIKey
LKWGXOFBVBYUOQ-UXBLZVDNSA-N
Compound name
[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.03944 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04672 145.6
[M+Na]+ 236.02866 152.5
[M-H]- 212.03216 149.9
[M+NH4]+ 231.07326 166.1
[M+K]+ 252.00260 148.3
[M+H-H2O]+ 196.03670 138.8
[M+HCOO]- 258.03764 161.4
[M+CH3COO]- 272.05329 193.2
[M+Na-2H]- 234.01411 144.5
[M]+ 213.03889 145.0
[M]- 213.03999 145.0
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

No patent data available for this compound.