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]+ 178.06850 130.7
[M+Na]+ 200.05044 139.5
[M-H]- 176.05394 137.9
[M+NH4]+ 195.09504 147.7
[M+K]+ 216.02438 136.3
[M+H-H2O]+ 160.05848 125.2
[M+HCOO]- 222.05942 149.7
[M+CH3COO]- 236.07507 183.7
[M+Na-2H]- 198.03589 135.6
[M]+ 177.06067 131.8
[M]- 177.06177 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