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 128.2
[M+Na]+ 164.05044 133.8
[M-H]- 140.05394 131.0
[M+NH4]+ 159.09504 149.5
[M+K]+ 180.02438 131.3
[M+H-H2O]+ 124.05848 122.7
[M+HCOO]- 186.05942 144.6
[M+CH3COO]- 200.07507 173.9
[M+Na-2H]- 162.03589 130.3
[M]+ 141.06067 123.6
[M]- 141.06177 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