CID 16093531

1-phenylcyclopropane-1-carbothioamide

Structural Information

Molecular Formula
C10H11NS
SMILES
C1CC1(C2=CC=CC=C2)C(=S)N
InChI
InChI=1S/C10H11NS/c11-9(12)10(6-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12)
InChIKey
LBHVAPBTHOCEEZ-UHFFFAOYSA-N
Compound name
1-phenylcyclopropane-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

177.06122 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.068496 130.7
[M+Na]+ 200.050438 139.5
[M-H]- 176.053944 137.9
[M+NH4]+ 195.095043 147.7
[M+K]+ 216.024378 136.3
[M+H-H2O]+ 160.058480 125.2
[M+HCOO]- 222.059421 149.7
[M+CH3COO]- 236.075071 183.7
[M+Na-2H]- 198.035886 135.6
[M]+ 177.06067142 131.8
[M]- 177.06176858 131.8
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