CID 708394

2741-13-1

Structural Information

Molecular Formula
C10H14N2S
SMILES
CC1=CC=C(C=C1)NC(=S)N(C)C
InChI
InChI=1S/C10H14N2S/c1-8-4-6-9(7-5-8)11-10(13)12(2)3/h4-7H,1-3H3,(H,11,13)
InChIKey
NVFPKSLOJQQWMO-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-(4-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

194.08777 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09505 143.4
[M+Na]+ 217.07699 154.2
[M+NH4]+ 212.12159 152.5
[M+K]+ 233.05093 146.1
[M-H]- 193.08049 147.3
[M+Na-2H]- 215.06244 150.0
[M]+ 194.08722 146.4
[M]- 194.08832 146.4
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