CID 16228936

(3-ethylphenyl)thiourea

Structural Information

Molecular Formula
C9H12N2S
SMILES
CCC1=CC(=CC=C1)NC(=S)N
InChI
InChI=1S/C9H12N2S/c1-2-7-4-3-5-8(6-7)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
InChIKey
FNHWAKASGNKIDD-UHFFFAOYSA-N
Compound name
(3-ethylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

180.07211 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07939 137.6
[M+Na]+ 203.06133 144.5
[M-H]- 179.06483 141.0
[M+NH4]+ 198.10593 157.5
[M+K]+ 219.03527 140.7
[M+H-H2O]+ 163.06937 131.4
[M+HCOO]- 225.07031 157.2
[M+CH3COO]- 239.08596 184.6
[M+Na-2H]- 201.04678 140.3
[M]+ 180.07156 136.1
[M]- 180.07266 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe