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

8
Patents

186.10045 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.10773 139.0
[M+Na]+ 209.08967 144.4
[M-H]- 185.09317 141.9
[M+NH4]+ 204.13427 157.5
[M+K]+ 225.06361 145.0
[M+H-H2O]+ 169.09771 131.8
[M+HCOO]- 231.09865 160.8
[M+CH3COO]- 245.11430 185.2
[M+Na-2H]- 207.07512 143.7
[M]+ 186.09990 138.5
[M]- 186.10100 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