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

190
Patents

227.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 152.1
[M+Na]+ 250.14137 156.3
[M-H]- 226.14487 156.4
[M+NH4]+ 245.18597 170.7
[M+K]+ 266.11531 157.1
[M+H-H2O]+ 210.14941 146.4
[M+HCOO]- 272.15035 171.5
[M+CH3COO]- 286.16600 194.5
[M+Na-2H]- 248.12682 154.5
[M]+ 227.15160 151.4
[M]- 227.15270 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