CID 3849839

[4-(butan-2-yl)phenyl]thiourea

Structural Information

Molecular Formula
C11H16N2S
SMILES
CCC(C)C1=CC=C(C=C1)NC(=S)N
InChI
InChI=1S/C11H16N2S/c1-3-8(2)9-4-6-10(7-5-9)13-11(12)14/h4-8H,3H2,1-2H3,(H3,12,13,14)
InChIKey
WTXSUXUHTUONPP-UHFFFAOYSA-N
Compound name
(4-butan-2-ylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

208.10342 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.110696 147.1
[M+Na]+ 231.092638 152.8
[M-H]- 207.096144 150.1
[M+NH4]+ 226.137243 165.8
[M+K]+ 247.066578 149.1
[M+H-H2O]+ 191.100680 140.6
[M+HCOO]- 253.101621 165.0
[M+CH3COO]- 267.117271 191.6
[M+Na-2H]- 229.078086 147.7
[M]+ 208.10287142 145.7
[M]- 208.10396858 145.7
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

No patent data available for this compound.