CID 3407485

3-amino-1-(2,3-dimethylcyclohexyl)thiourea

Structural Information

Molecular Formula
C9H19N3S
SMILES
CC1CCCC(C1C)NC(=S)NN
InChI
InChI=1S/C9H19N3S/c1-6-4-3-5-8(7(6)2)11-9(13)12-10/h6-8H,3-5,10H2,1-2H3,(H2,11,12,13)
InChIKey
CWRNCGLPEHAFHA-UHFFFAOYSA-N
Compound name
1-amino-3-(2,3-dimethylcyclohexyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

201.12997 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13725 145.5
[M+Na]+ 224.11919 149.2
[M-H]- 200.12269 147.7
[M+NH4]+ 219.16379 164.1
[M+K]+ 240.09313 146.2
[M+H-H2O]+ 184.12723 139.0
[M+HCOO]- 246.12817 161.5
[M+CH3COO]- 260.14382 191.4
[M+Na-2H]- 222.10464 145.1
[M]+ 201.12942 139.1
[M]- 201.13052 139.1
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