CID 14583

1209-31-0

Structural Information

Molecular Formula
C13H16O3
SMILES
COC(=O)C(C1CCC1)(C2=CC=CC=C2)O
InChI
InChI=1S/C13H16O3/c1-16-12(14)13(15,11-8-5-9-11)10-6-3-2-4-7-10/h2-4,6-7,11,15H,5,8-9H2,1H3
InChIKey
YXPHFWYCSAYUAB-UHFFFAOYSA-N
Compound name
methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.10994 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11722 149.3
[M+Na]+ 243.09916 155.5
[M+NH4]+ 238.14376 152.8
[M+K]+ 259.07310 152.6
[M-H]- 219.10266 148.2
[M+Na-2H]- 241.08461 153.1
[M]+ 220.10939 148.6
[M]- 220.11049 148.6
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

patents stripe