CID 122432208

Ethyl 1-nitrosopiperidine-4-carboxylate

Structural Information

Molecular Formula
C8H14N2O3
SMILES
CCOC(=O)C1CCN(CC1)N=O
InChI
InChI=1S/C8H14N2O3/c1-2-13-8(11)7-3-5-10(9-12)6-4-7/h7H,2-6H2,1H3
InChIKey
AOQMXLKHSHYICM-UHFFFAOYSA-N
Compound name
ethyl 1-nitrosopiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

186.10045 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.107726 139.0
[M+Na]+ 209.089668 144.4
[M-H]- 185.093174 141.9
[M+NH4]+ 204.134273 157.5
[M+K]+ 225.063608 145.0
[M+H-H2O]+ 169.097710 131.8
[M+HCOO]- 231.098651 160.8
[M+CH3COO]- 245.114301 185.2
[M+Na-2H]- 207.075116 143.7
[M]+ 186.09990142 138.5
[M]- 186.10099858 138.5
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