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

1
Patents

141.06122 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.068496 128.2
[M+Na]+ 164.050438 133.8
[M-H]- 140.053944 131.0
[M+NH4]+ 159.095043 149.5
[M+K]+ 180.024378 131.3
[M+H-H2O]+ 124.058480 122.7
[M+HCOO]- 186.059421 144.6
[M+CH3COO]- 200.075071 173.9
[M+Na-2H]- 162.035886 130.3
[M]+ 141.06067142 123.6
[M]- 141.06176858 123.6
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

patents stripe