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

312
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

literature stripe

Patent stripe

patents stripe