CID 84685665

1932186-12-3

Structural Information

Molecular Formula
C13H16O3
SMILES
C1C(CC1OCC2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C13H16O3/c14-13(15)8-11-6-12(7-11)16-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,14,15)
InChIKey
HELWNIODDJWYGZ-UHFFFAOYSA-N
Compound name
2-(3-phenylmethoxycyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.10994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 146.3
[M+Na]+ 243.099158 150.6
[M-H]- 219.102664 151.0
[M+NH4]+ 238.143763 157.2
[M+K]+ 259.073098 151.5
[M+H-H2O]+ 203.107200 134.5
[M+HCOO]- 265.108141 166.1
[M+CH3COO]- 279.123791 189.3
[M+Na-2H]- 241.084606 149.7
[M]+ 220.10939142 154.8
[M]- 220.11048858 154.8
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.