CID 130130147

1-phenylcyclobutane-1,3-diol

Structural Information

Molecular Formula
C10H12O2
SMILES
C1C(CC1(C2=CC=CC=C2)O)O
InChI
InChI=1S/C10H12O2/c11-9-6-10(12,7-9)8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2
InChIKey
FNXXGXJMTUWDAI-UHFFFAOYSA-N
Compound name
1-phenylcyclobutane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.08372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 132.7
[M+Na]+ 187.072938 139.1
[M-H]- 163.076444 137.1
[M+NH4]+ 182.117543 147.5
[M+K]+ 203.046878 139.4
[M+H-H2O]+ 147.080980 123.1
[M+HCOO]- 209.081921 152.7
[M+CH3COO]- 223.097571 175.6
[M+Na-2H]- 185.058386 139.5
[M]+ 164.08317142 138.7
[M]- 164.08426858 138.7
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.