CID 15864654

2-(4-methylphenyl)oxan-4-ol

Structural Information

Molecular Formula
C12H16O2
SMILES
CC1=CC=C(C=C1)C2CC(CCO2)O
InChI
InChI=1S/C12H16O2/c1-9-2-4-10(5-3-9)12-8-11(13)6-7-14-12/h2-5,11-13H,6-8H2,1H3
InChIKey
GYILWGJBECAIGJ-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.11504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 141.9
[M+Na]+ 215.10426 147.8
[M-H]- 191.10776 147.6
[M+NH4]+ 210.14886 159.4
[M+K]+ 231.07820 146.2
[M+H-H2O]+ 175.11230 135.5
[M+HCOO]- 237.11324 160.7
[M+CH3COO]- 251.12889 180.7
[M+Na-2H]- 213.08971 147.1
[M]+ 192.11449 138.4
[M]- 192.11559 138.4
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

patents stripe