CID 20063137

(3-phenyloxetan-3-yl)methanol

Structural Information

Molecular Formula
C10H12O2
SMILES
C1C(CO1)(CO)C2=CC=CC=C2
InChI
InChI=1S/C10H12O2/c11-6-10(7-12-8-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKey
MDFSDDCPPNQIFV-UHFFFAOYSA-N
Compound name
(3-phenyloxetan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

242
Patents

164.08372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 129.2
[M+Na]+ 187.07294 135.3
[M-H]- 163.07644 135.4
[M+NH4]+ 182.11754 143.3
[M+K]+ 203.04688 137.6
[M+H-H2O]+ 147.08098 119.4
[M+HCOO]- 209.08192 150.0
[M+CH3COO]- 223.09757 177.0
[M+Na-2H]- 185.05839 138.4
[M]+ 164.08317 137.3
[M]- 164.08427 137.3
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.