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]+ 320.14925 174.2
[M+Na]+ 342.13119 177.5
[M-H]- 318.13469 179.8
[M+NH4]+ 337.17579 188.2
[M+K]+ 358.10513 176.3
[M+H-H2O]+ 302.13923 166.4
[M+HCOO]- 364.14017 188.1
[M+CH3COO]- 378.15582 199.2
[M+Na-2H]- 340.11664 174.7
[M]+ 319.14142 170.5
[M]- 319.14252 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.