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]+ 193.122316 142.7
[M+Na]+ 215.104258 147.7
[M-H]- 191.107764 148.0
[M+NH4]+ 210.148863 161.6
[M+K]+ 231.078198 146.4
[M+H-H2O]+ 175.112300 136.4
[M+HCOO]- 237.113241 161.5
[M+CH3COO]- 251.128891 178.0
[M+Na-2H]- 213.089706 150.3
[M]+ 192.11449142 138.7
[M]- 192.11558858 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.