CID 4071901

1,1-dimethyl-3-(2-methylphenyl)thiourea

Structural Information

Molecular Formula
C10H14N2S
SMILES
CC1=CC=CC=C1NC(=S)N(C)C
InChI
InChI=1S/C10H14N2S/c1-8-6-4-5-7-9(8)11-10(13)12(2)3/h4-7H,1-3H3,(H,11,13)
InChIKey
CVEXTBNTGSXEQS-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-(2-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

194.08777 Da
Monoisotopic Mass

1.5
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