CID 306670

3-tert-butyl-1-cyclohexyl-1-methylurea

Structural Information

Molecular Formula
C12H24N2O
SMILES
CC(C)(C)NC(=O)N(C)C1CCCCC1
InChI
InChI=1S/C12H24N2O/c1-12(2,3)13-11(15)14(4)10-8-6-5-7-9-10/h10H,5-9H2,1-4H3,(H,13,15)
InChIKey
SYUMFGZKAWNORD-UHFFFAOYSA-N
Compound name
3-tert-butyl-1-cyclohexyl-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.18886 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.196136 152.7
[M+Na]+ 235.178078 154.8
[M-H]- 211.181584 156.4
[M+NH4]+ 230.222683 171.3
[M+K]+ 251.152018 155.1
[M+H-H2O]+ 195.186120 146.4
[M+HCOO]- 257.187061 172.3
[M+CH3COO]- 271.202711 195.1
[M+Na-2H]- 233.163526 155.6
[M]+ 212.18831142 148.5
[M]- 212.18940858 148.5
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

No patent data available for this compound.