CID 3061719

Thiourea, n'-cyclohexyl-n-methyl-n-nitroso-

Structural Information

Molecular Formula
C8H15N3OS
SMILES
CN(C(=S)NC1CCCCC1)N=O
InChI
InChI=1S/C8H15N3OS/c1-11(10-12)8(13)9-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,9,13)
InChIKey
MBDHMGBEIMEHPR-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-methyl-1-nitrosothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

201.09358 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.100856 143.7
[M+Na]+ 224.082798 146.8
[M-H]- 200.086304 148.9
[M+NH4]+ 219.127403 163.1
[M+K]+ 240.056738 146.6
[M+H-H2O]+ 184.090840 136.3
[M+HCOO]- 246.091781 163.1
[M+CH3COO]- 260.107431 193.8
[M+Na-2H]- 222.068246 146.1
[M]+ 201.09303142 141.1
[M]- 201.09412858 141.1
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