CID 322628

Ethyl 1-nitroso-2-oxocyclohexanecarboxylate

Structural Information

Molecular Formula
C9H13NO4
SMILES
CCOC(=O)C1(CCCCC1=O)N=O
InChI
InChI=1S/C9H13NO4/c1-2-14-8(12)9(10-13)6-4-3-5-7(9)11/h2-6H2,1H3
InChIKey
ROORNIUQNFGEKJ-UHFFFAOYSA-N
Compound name
ethyl 1-nitroso-2-oxocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08446 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09174 139.3
[M+Na]+ 222.07368 145.5
[M-H]- 198.07718 143.9
[M+NH4]+ 217.11828 160.6
[M+K]+ 238.04762 146.2
[M+H-H2O]+ 182.08172 134.0
[M+HCOO]- 244.08266 162.5
[M+CH3COO]- 258.09831 186.4
[M+Na-2H]- 220.05913 145.0
[M]+ 199.08391 139.8
[M]- 199.08501 139.8
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.