CID 132371473

Methyl (1s,3s)-3-hydroxy-3-(4-hydroxyphenyl)cyclobutane-1-carboxylate

Structural Information

Molecular Formula
C12H14O4
SMILES
COC(=O)C1CC(C1)(C2=CC=C(C=C2)O)O
InChI
InChI=1S/C12H14O4/c1-16-11(14)8-6-12(15,7-8)9-2-4-10(13)5-3-9/h2-5,8,13,15H,6-7H2,1H3
InChIKey
MMONCMJMYCVWFE-UHFFFAOYSA-N
Compound name
methyl 3-hydroxy-3-(4-hydroxyphenyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0892 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 147.7
[M+Na]+ 245.07842 153.7
[M-H]- 221.08192 152.1
[M+NH4]+ 240.12302 160.2
[M+K]+ 261.05236 154.8
[M+H-H2O]+ 205.08646 137.5
[M+HCOO]- 267.08740 166.5
[M+CH3COO]- 281.10305 186.2
[M+Na-2H]- 243.06387 151.4
[M]+ 222.08865 156.1
[M]- 222.08975 156.1
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.