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

108
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 139.7
[M+Na]+ 193.13112 142.4
[M-H]- 169.13462 142.1
[M+NH4]+ 188.17572 159.1
[M+K]+ 209.10506 141.5
[M+H-H2O]+ 153.13916 133.3
[M+HCOO]- 215.14010 161.3
[M+CH3COO]- 229.15575 182.8
[M+Na-2H]- 191.11657 144.2
[M]+ 170.14135 133.7
[M]- 170.14245 133.7
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