CID 59837413

2-methyl-2-phenylpropanethioamide

Structural Information

Molecular Formula
C10H13NS
SMILES
CC(C)(C1=CC=CC=C1)C(=S)N
InChI
InChI=1S/C10H13NS/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,11,12)
InChIKey
VLQJIACSHPWLGU-UHFFFAOYSA-N
Compound name
2-methyl-2-phenylpropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

179.07687 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.084146 138.7
[M+Na]+ 202.066088 145.5
[M-H]- 178.069594 142.0
[M+NH4]+ 197.110693 158.8
[M+K]+ 218.040028 142.1
[M+H-H2O]+ 162.074130 133.2
[M+HCOO]- 224.075071 155.6
[M+CH3COO]- 238.090721 182.6
[M+Na-2H]- 200.051536 141.8
[M]+ 179.07632142 137.6
[M]- 179.07741858 137.6
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