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]+ 193.122316 141.9
[M+Na]+ 215.104258 147.8
[M-H]- 191.107764 147.6
[M+NH4]+ 210.148863 159.4
[M+K]+ 231.078198 146.2
[M+H-H2O]+ 175.112300 135.5
[M+HCOO]- 237.113241 160.7
[M+CH3COO]- 251.128891 180.7
[M+Na-2H]- 213.089706 147.1
[M]+ 192.11449142 138.4
[M]- 192.11558858 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