CID 65008223

5-phenylspiro[2.3]hexane-5-carboxylic acid

Structural Information

Molecular Formula
C13H14O2
SMILES
C1CC12CC(C2)(C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C13H14O2/c14-11(15)13(8-12(9-13)6-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)
InChIKey
GRIQBTWKXZUCQQ-UHFFFAOYSA-N
Compound name
5-phenylspiro[2.3]hexane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.09938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10666 144.0
[M+Na]+ 225.08860 151.9
[M-H]- 201.09210 152.5
[M+NH4]+ 220.13320 155.5
[M+K]+ 241.06254 152.7
[M+H-H2O]+ 185.09664 135.1
[M+HCOO]- 247.09758 163.5
[M+CH3COO]- 261.11323 187.7
[M+Na-2H]- 223.07405 150.9
[M]+ 202.09883 153.2
[M]- 202.09993 153.2
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.