CID 3000711

64011-70-7

Structural Information

Molecular Formula
C7H11NS
SMILES
C1CC(CC=C1)C(=S)N
InChI
InChI=1S/C7H11NS/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H2,8,9)
InChIKey
BCIPMXTUMHTZBE-UHFFFAOYSA-N
Compound name
cyclohex-3-ene-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.06122 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 128.4
[M+Na]+ 164.05044 138.4
[M+NH4]+ 159.09504 138.1
[M+K]+ 180.02438 130.6
[M-H]- 140.05394 131.3
[M+Na-2H]- 162.03589 133.8
[M]+ 141.06067 130.9
[M]- 141.06177 130.9
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.