CID 280348

1-cyclohexyl-3-isopropylurea

Structural Information

Molecular Formula
C10H20N2O
SMILES
CC(C)NC(=O)NC1CCCCC1
InChI
InChI=1S/C10H20N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13)
InChIKey
WFXRBFWBIOWNDJ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

184.15756 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.16484 145.0
[M+Na]+ 207.14678 147.0
[M-H]- 183.15028 147.2
[M+NH4]+ 202.19138 163.7
[M+K]+ 223.12072 146.3
[M+H-H2O]+ 167.15482 138.5
[M+HCOO]- 229.15576 165.2
[M+CH3COO]- 243.17141 186.8
[M+Na-2H]- 205.13223 147.6
[M]+ 184.15701 138.6
[M]- 184.15811 138.6
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

patents stripe