CID 5151398

1-cyclohexyl-3-ethylurea

Structural Information

Molecular Formula
C9H18N2O
SMILES
CCNC(=O)NC1CCCCC1
InChI
InChI=1S/C9H18N2O/c1-2-10-9(12)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKey
BBUVNFZPAAVCSX-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

170.1419 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 140.3
[M+Na]+ 193.13112 148.2
[M+NH4]+ 188.17572 148.4
[M+K]+ 209.10506 142.7
[M-H]- 169.13462 142.7
[M+Na-2H]- 191.11657 144.7
[M]+ 170.14135 141.6
[M]- 170.14245 141.6
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