CID 2078831

4-isopropylbenzenecarbothioamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

30
Patents

179.07687 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08415 139.1
[M+Na]+ 202.06609 150.4
[M+NH4]+ 197.11069 148.4
[M+K]+ 218.04003 142.5
[M-H]- 178.06959 142.2
[M+Na-2H]- 200.05154 145.0
[M]+ 179.07632 142.0
[M]- 179.07742 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe