CID 165888544

2580217-99-6

Structural Information

Molecular Formula
C15H17NO4
SMILES
C1CN(C12CC(C2)C(=O)O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H17NO4/c17-13(18)12-8-15(9-12)6-7-16(15)14(19)20-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,18)
InChIKey
VSMVOTIIECKFSC-UHFFFAOYSA-N
Compound name
1-phenylmethoxycarbonyl-1-azaspiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.11575 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 167.5
[M+Na]+ 298.10497 168.5
[M+NH4]+ 293.14957 167.0
[M+K]+ 314.07891 166.1
[M-H]- 274.10847 163.6
[M+Na-2H]- 296.09042 168.0
[M]+ 275.11520 164.2
[M]- 275.11630 164.2
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.