CID 3617823

4-cyclohexyl-1,1-dimethylsemicarbazide

Structural Information

Molecular Formula
C9H19N3O
SMILES
CN(C)NC(=O)NC1CCCCC1
InChI
InChI=1S/C9H19N3O/c1-12(2)11-9(13)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H2,10,11,13)
InChIKey
AGWFEHOSMCUSIB-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(dimethylamino)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

185.15282 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.160096 143.2
[M+Na]+ 208.142038 145.1
[M-H]- 184.145544 147.0
[M+NH4]+ 203.186643 162.2
[M+K]+ 224.115978 145.7
[M+H-H2O]+ 168.150080 136.1
[M+HCOO]- 230.151021 166.3
[M+CH3COO]- 244.166671 191.4
[M+Na-2H]- 206.127486 147.2
[M]+ 185.15227142 137.6
[M]- 185.15336858 137.6
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