CID 131451460

Ethyl 2-azaspiro[3.3]heptane-6-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15NO2
SMILES
CCOC(=O)C1CC2(C1)CNC2
InChI
InChI=1S/C9H15NO2/c1-2-12-8(11)7-3-9(4-7)5-10-6-9/h7,10H,2-6H2,1H3
InChIKey
YRYOUQQHBAQWBH-UHFFFAOYSA-N
Compound name
ethyl 2-azaspiro[3.3]heptane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 132.9
[M+Na]+ 192.09950 136.4
[M-H]- 168.10300 135.5
[M+NH4]+ 187.14410 140.1
[M+K]+ 208.07344 140.8
[M+H-H2O]+ 152.10754 119.2
[M+HCOO]- 214.10848 148.3
[M+CH3COO]- 228.12413 188.6
[M+Na-2H]- 190.08495 137.5
[M]+ 169.10973 147.1
[M]- 169.11083 147.1
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.