CID 16782986

1-cyclohexyl-1-ethylthiourea

Structural Information

Molecular Formula
C9H18N2S
SMILES
CCN(C1CCCCC1)C(=S)N
InChI
InChI=1S/C9H18N2S/c1-2-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,10,12)
InChIKey
VGBZVQGJJBVFAS-UHFFFAOYSA-N
Compound name
1-cyclohexyl-1-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.11906 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12634 142.8
[M+Na]+ 209.10828 145.7
[M-H]- 185.11178 146.0
[M+NH4]+ 204.15288 162.4
[M+K]+ 225.08222 144.2
[M+H-H2O]+ 169.11632 136.2
[M+HCOO]- 231.11726 158.4
[M+CH3COO]- 245.13291 188.1
[M+Na-2H]- 207.09373 142.6
[M]+ 186.11851 137.8
[M]- 186.11961 137.8
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

No patent data available for this compound.