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]+ 213.19614 152.7
[M+Na]+ 235.17808 154.8
[M-H]- 211.18158 156.4
[M+NH4]+ 230.22268 171.3
[M+K]+ 251.15202 155.1
[M+H-H2O]+ 195.18612 146.4
[M+HCOO]- 257.18706 172.3
[M+CH3COO]- 271.20271 195.1
[M+Na-2H]- 233.16353 155.6
[M]+ 212.18831 148.5
[M]- 212.18941 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.