CID 3745753

3-amino-1-(2-methylcyclohexyl)thiourea

Structural Information

Molecular Formula
C8H17N3S
SMILES
CC1CCCCC1NC(=S)NN
InChI
InChI=1S/C8H17N3S/c1-6-4-2-3-5-7(6)10-8(12)11-9/h6-7H,2-5,9H2,1H3,(H2,10,11,12)
InChIKey
FOHGZWSUKUQQKG-UHFFFAOYSA-N
Compound name
1-amino-3-(2-methylcyclohexyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

187.11432 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12160 140.8
[M+Na]+ 210.10354 144.1
[M-H]- 186.10704 143.0
[M+NH4]+ 205.14814 159.7
[M+K]+ 226.07748 141.3
[M+H-H2O]+ 170.11158 134.3
[M+HCOO]- 232.11252 157.2
[M+CH3COO]- 246.12817 187.2
[M+Na-2H]- 208.08899 141.7
[M]+ 187.11377 133.8
[M]- 187.11487 133.8
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.