CID 44228975

(3-oxo-cyclohexyl)-carbamic acid tert-butyl ester

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)NC1CCCC(=O)C1
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-5-4-6-9(13)7-8/h8H,4-7H2,1-3H3,(H,12,14)
InChIKey
VGDCXKATFLOEHF-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-oxocyclohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

290
Patents

213.13649 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 148.7
[M+Na]+ 236.12571 153.1
[M-H]- 212.12921 151.6
[M+NH4]+ 231.17031 167.2
[M+K]+ 252.09965 152.7
[M+H-H2O]+ 196.13375 143.2
[M+HCOO]- 258.13469 167.8
[M+CH3COO]- 272.15034 188.0
[M+Na-2H]- 234.11116 152.2
[M]+ 213.13594 146.3
[M]- 213.13704 146.3
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