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]+ 187.126336 142.8
[M+Na]+ 209.108278 145.7
[M-H]- 185.111784 146.0
[M+NH4]+ 204.152883 162.4
[M+K]+ 225.082218 144.2
[M+H-H2O]+ 169.116320 136.2
[M+HCOO]- 231.117261 158.4
[M+CH3COO]- 245.132911 188.1
[M+Na-2H]- 207.093726 142.6
[M]+ 186.11851142 137.8
[M]- 186.11960858 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.