CID 24820328

Tert-butyl n-methyl-n-(4-oxocyclohexyl)carbamate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)N(C)C1CCC(=O)CC1
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13(4)9-5-7-10(14)8-6-9/h9H,5-8H2,1-4H3
InChIKey
JAMGILZSPQRPBH-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

227.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.159426 152.1
[M+Na]+ 250.141368 156.3
[M-H]- 226.144874 156.4
[M+NH4]+ 245.185973 170.7
[M+K]+ 266.115308 157.1
[M+H-H2O]+ 210.149410 146.4
[M+HCOO]- 272.150351 171.5
[M+CH3COO]- 286.166001 194.5
[M+Na-2H]- 248.126816 154.5
[M]+ 227.15160142 151.4
[M]- 227.15269858 151.4
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