CID 306672

1-tert-butyl-3-cyclohexylurea

Structural Information

Molecular Formula
C11H22N2O
SMILES
CC(C)(C)NC(=O)NC1CCCCC1
InChI
InChI=1S/C11H22N2O/c1-11(2,3)13-10(14)12-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H2,12,13,14)
InChIKey
COLUTWBYJCLQKO-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

198.17322 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.18050 148.5
[M+Na]+ 221.16244 150.9
[M-H]- 197.16594 150.9
[M+NH4]+ 216.20704 167.0
[M+K]+ 237.13638 150.0
[M+H-H2O]+ 181.17048 142.5
[M+HCOO]- 243.17142 168.0
[M+CH3COO]- 257.18707 188.6
[M+Na-2H]- 219.14789 152.7
[M]+ 198.17267 142.7
[M]- 198.17377 142.7
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