CID 132327997

2126159-95-1

Structural Information

Molecular Formula
C17H21NO5
SMILES
C1CCC2(CC1)N(C(CO2)C(=O)O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C17H21NO5/c19-15(20)14-12-23-17(9-5-2-6-10-17)18(14)16(21)22-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,19,20)
InChIKey
LKYLECLZDIUADR-UHFFFAOYSA-N
Compound name
4-phenylmethoxycarbonyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.14197 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.149246 174.2
[M+Na]+ 342.131188 177.5
[M-H]- 318.134694 179.8
[M+NH4]+ 337.175793 188.2
[M+K]+ 358.105128 176.3
[M+H-H2O]+ 302.139230 166.4
[M+HCOO]- 364.140171 188.1
[M+CH3COO]- 378.155821 199.2
[M+Na-2H]- 340.116636 174.7
[M]+ 319.14142142 170.5
[M]- 319.14251858 170.5
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

No patent data available for this compound.