CID 3398150

57883-86-0

Structural Information

Molecular Formula
C15H30N2O
SMILES
CCCCN(CCCC)C(=O)NC1CCCCC1
InChI
InChI=1S/C15H30N2O/c1-3-5-12-17(13-6-4-2)15(18)16-14-10-8-7-9-11-14/h14H,3-13H2,1-2H3,(H,16,18)
InChIKey
ZUTUVTVLZVGFQC-UHFFFAOYSA-N
Compound name
1,1-dibutyl-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.23581 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.24309 167.3
[M+Na]+ 277.22503 167.5
[M-H]- 253.22853 169.9
[M+NH4]+ 272.26963 183.9
[M+K]+ 293.19897 166.5
[M+H-H2O]+ 237.23307 159.5
[M+HCOO]- 299.23401 187.3
[M+CH3COO]- 313.24966 204.5
[M+Na-2H]- 275.21048 167.7
[M]+ 254.23526 164.6
[M]- 254.23636 164.6
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

No patent data available for this compound.