CID 65009328

2-(4-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C15H18O3
SMILES
COC1=CC=C(C=C1)C2(CC3(C2)CCC3)C(=O)O
InChI
InChI=1S/C15H18O3/c1-18-12-5-3-11(4-6-12)15(13(16)17)9-14(10-15)7-2-8-14/h3-6H,2,7-10H2,1H3,(H,16,17)
InChIKey
KQPOLNFFGRIHPE-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 159.1
[M+Na]+ 269.11482 161.2
[M+NH4]+ 264.15942 161.6
[M+K]+ 285.08876 156.3
[M-H]- 245.11832 156.9
[M+Na-2H]- 267.10027 162.4
[M]+ 246.12505 156.8
[M]- 246.12615 156.8
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.