CID 280347

1-cyclohexyl-3-propylurea

Structural Information

Molecular Formula
C10H20N2O
SMILES
CCCNC(=O)NC1CCCCC1
InChI
InChI=1S/C10H20N2O/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKey
GRLSYRNKNDLBAO-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

184.15756 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.16484 144.2
[M+Na]+ 207.14678 146.4
[M-H]- 183.15028 146.4
[M+NH4]+ 202.19138 163.0
[M+K]+ 223.12072 145.3
[M+H-H2O]+ 167.15482 137.6
[M+HCOO]- 229.15576 165.5
[M+CH3COO]- 243.17141 185.9
[M+Na-2H]- 205.13223 148.1
[M]+ 184.15701 138.5
[M]- 184.15811 138.5
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