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 147.2
[M+Na]+ 269.11482 150.5
[M-H]- 245.11832 153.6
[M+NH4]+ 264.15942 152.6
[M+K]+ 285.08876 153.7
[M+H-H2O]+ 229.12286 132.4
[M+HCOO]- 291.12380 163.6
[M+CH3COO]- 305.13945 201.7
[M+Na-2H]- 267.10027 150.8
[M]+ 246.12505 162.3
[M]- 246.12615 162.3
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.