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 147.2
[M+Na]+ 227.10426 153.8
[M-H]- 203.10776 151.3
[M+NH4]+ 222.14886 168.8
[M+K]+ 243.07820 153.8
[M+H-H2O]+ 187.11230 140.2
[M+HCOO]- 249.11324 164.2
[M+CH3COO]- 263.12889 159.7
[M+Na-2H]- 225.08971 156.4
[M]+ 204.11449 160.5
[M]- 204.11559 160.5
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.