CID 137928682

6-(benzyloxy)spiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C15H18O3
SMILES
C1C(CC12CC(C2)OCC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C15H18O3/c16-14(17)12-6-15(7-12)8-13(9-15)18-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,17)
InChIKey
XXAVEBZVNMVCNF-UHFFFAOYSA-N
Compound name
2-phenylmethoxyspiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 158.6
[M+Na]+ 269.11482 160.5
[M+NH4]+ 264.15942 159.8
[M+K]+ 285.08876 157.0
[M-H]- 245.11832 156.4
[M+Na-2H]- 267.10027 160.5
[M]+ 246.12505 156.0
[M]- 246.12615 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.