CID 12699448

3-phenyloxetan-3-ol

Structural Information

Molecular Formula
C9H10O2
SMILES
C1C(CO1)(C2=CC=CC=C2)O
InChI
InChI=1S/C9H10O2/c10-9(6-11-7-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey
BHAIDFCOUGGIRI-UHFFFAOYSA-N
Compound name
3-phenyloxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

150.06808 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 124.5
[M+Na]+ 173.05730 131.0
[M-H]- 149.06080 130.8
[M+NH4]+ 168.10190 139.2
[M+K]+ 189.03124 133.5
[M+H-H2O]+ 133.06534 114.9
[M+HCOO]- 195.06628 145.6
[M+CH3COO]- 209.08193 174.1
[M+Na-2H]- 171.04275 134.3
[M]+ 150.06753 132.3
[M]- 150.06863 132.3
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