CID 2765754

1-(4-tert.-butylphenyl)-2-thiourea

Structural Information

Molecular Formula
C11H16N2S
SMILES
CC(C)(C)C1=CC=C(C=C1)NC(=S)N
InChI
InChI=1S/C11H16N2S/c1-11(2,3)8-4-6-9(7-5-8)13-10(12)14/h4-7H,1-3H3,(H3,12,13,14)
InChIKey
CDQMIFDISMKPDE-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

38
Patents

208.10342 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11070 147.3
[M+Na]+ 231.09264 153.7
[M-H]- 207.09614 150.5
[M+NH4]+ 226.13724 166.2
[M+K]+ 247.06658 149.9
[M+H-H2O]+ 191.10068 141.2
[M+HCOO]- 253.10162 164.7
[M+CH3COO]- 267.11727 190.3
[M+Na-2H]- 229.07809 149.6
[M]+ 208.10287 145.8
[M]- 208.10397 145.8
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