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 156.9
[M+Na]+ 298.10497 159.5
[M-H]- 274.10847 161.8
[M+NH4]+ 293.14957 159.6
[M+K]+ 314.07891 163.5
[M+H-H2O]+ 258.11301 140.6
[M+HCOO]- 320.11395 171.2
[M+CH3COO]- 334.12960 204.8
[M+Na-2H]- 296.09042 159.0
[M]+ 275.11520 172.2
[M]- 275.11630 172.2
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.