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]+ 221.11722 146.3
[M+Na]+ 243.09916 150.6
[M-H]- 219.10266 151.0
[M+NH4]+ 238.14376 157.2
[M+K]+ 259.07310 151.5
[M+H-H2O]+ 203.10720 134.5
[M+HCOO]- 265.10814 166.1
[M+CH3COO]- 279.12379 189.3
[M+Na-2H]- 241.08461 149.7
[M]+ 220.10939 154.8
[M]- 220.11049 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.