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]+ 165.09100 132.7
[M+Na]+ 187.07294 139.1
[M-H]- 163.07644 137.1
[M+NH4]+ 182.11754 147.5
[M+K]+ 203.04688 139.4
[M+H-H2O]+ 147.08098 123.1
[M+HCOO]- 209.08192 152.7
[M+CH3COO]- 223.09757 175.6
[M+Na-2H]- 185.05839 139.5
[M]+ 164.08317 138.7
[M]- 164.08427 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.