CID 54772595

(4-phenyloxan-4-yl)methanol

Structural Information

Molecular Formula
C12H16O2
SMILES
C1COCCC1(CO)C2=CC=CC=C2
InChI
InChI=1S/C12H16O2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKey
OHKBZOSLGDHFQS-UHFFFAOYSA-N
Compound name
(4-phenyloxan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.11504 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 142.7
[M+Na]+ 215.10426 147.7
[M-H]- 191.10776 148.0
[M+NH4]+ 210.14886 161.6
[M+K]+ 231.07820 146.4
[M+H-H2O]+ 175.11230 136.4
[M+HCOO]- 237.11324 161.5
[M+CH3COO]- 251.12889 178.0
[M+Na-2H]- 213.08971 150.3
[M]+ 192.11449 138.7
[M]- 192.11559 138.7
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.