CID 121207986

Lithium(1+) 6-phenyl-2-oxaspiro[3.3]heptane-6-carboxylate

Structural Information

Molecular Formula
C13H14O3
SMILES
C1C2(CC1(C3=CC=CC=C3)C(=O)O)COC2
InChI
InChI=1S/C13H14O3/c14-11(15)13(10-4-2-1-3-5-10)6-12(7-13)8-16-9-12/h1-5H,6-9H2,(H,14,15)
InChIKey
XKCLYIPJABZICA-UHFFFAOYSA-N
Compound name
6-phenyl-2-oxaspiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10158 149.1
[M+Na]+ 241.08352 151.6
[M+NH4]+ 236.12812 151.8
[M+K]+ 257.05746 147.3
[M-H]- 217.08702 148.1
[M+Na-2H]- 239.06897 152.8
[M]+ 218.09375 147.3
[M]- 218.09485 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.