CID 138040126

2243514-95-4

Structural Information

Molecular Formula
C13H16O2
SMILES
C1C2(CC1(OC2)CO)CC3=CC=CC=C3
InChI
InChI=1S/C13H16O2/c14-9-13-7-12(8-13,10-15-13)6-11-4-2-1-3-5-11/h1-5,14H,6-10H2
InChIKey
PLQVUBUDCFZBCL-UHFFFAOYSA-N
Compound name
(4-benzyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.11504 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 137.3
[M+Na]+ 227.10426 142.8
[M+NH4]+ 222.14886 146.6
[M+K]+ 243.07820 138.6
[M-H]- 203.10776 136.2
[M+Na-2H]- 225.08971 138.9
[M]+ 204.11449 136.9
[M]- 204.11559 136.9
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.