CID 723631

1-methyl-1-phenylthiourea

Structural Information

Molecular Formula
C8H10N2S
SMILES
CN(C1=CC=CC=C1)C(=S)N
InChI
InChI=1S/C8H10N2S/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)
InChIKey
MCWZNJNWGQPUGL-UHFFFAOYSA-N
Compound name
1-methyl-1-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

125
Patents

166.05647 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06375 133.9
[M+Na]+ 189.04569 140.4
[M-H]- 165.04919 138.6
[M+NH4]+ 184.09029 154.6
[M+K]+ 205.01963 138.4
[M+H-H2O]+ 149.05373 127.4
[M+HCOO]- 211.05467 154.3
[M+CH3COO]- 225.07032 183.9
[M+Na-2H]- 187.03114 137.0
[M]+ 166.05592 132.8
[M]- 166.05702 132.8
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