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

40
Patents

179.07687 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08415 138.7
[M+Na]+ 202.06609 145.5
[M-H]- 178.06959 142.0
[M+NH4]+ 197.11069 158.8
[M+K]+ 218.04003 142.1
[M+H-H2O]+ 162.07413 133.2
[M+HCOO]- 224.07507 155.6
[M+CH3COO]- 238.09072 182.6
[M+Na-2H]- 200.05154 141.8
[M]+ 179.07632 137.6
[M]- 179.07742 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