CID 12546192

Ethyl n-(4-oxocyclohexyl)carbamate

Structural Information

Molecular Formula
C9H15NO3
SMILES
CCOC(=O)NC1CCC(=O)CC1
InChI
InChI=1S/C9H15NO3/c1-2-13-9(12)10-7-3-5-8(11)6-4-7/h7H,2-6H2,1H3,(H,10,12)
InChIKey
QTWZIQLAPSOQNL-UHFFFAOYSA-N
Compound name
ethyl N-(4-oxocyclohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.1052 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 140.1
[M+Na]+ 208.09442 144.8
[M-H]- 184.09792 143.0
[M+NH4]+ 203.13902 159.4
[M+K]+ 224.06836 144.4
[M+H-H2O]+ 168.10246 134.1
[M+HCOO]- 230.10340 161.4
[M+CH3COO]- 244.11905 182.3
[M+Na-2H]- 206.07987 143.7
[M]+ 185.10465 137.5
[M]- 185.10575 137.5
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

patents stripe