CID 361465

Nsc624492

Structural Information

Molecular Formula
C15H22O3
SMILES
CC1=CC=C(C=C1)C2(CCC(OO2)C(C)(C)O)C
InChI
InChI=1S/C15H22O3/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-18-15)14(2,3)16/h5-8,13,16H,9-10H2,1-4H3
InChIKey
FCQCSKGBKUYFSW-UHFFFAOYSA-N
Compound name
2-[6-methyl-6-(4-methylphenyl)dioxan-3-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

250.15689 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 157.7
[M+Na]+ 273.14611 163.8
[M-H]- 249.14961 164.2
[M+NH4]+ 268.19071 173.7
[M+K]+ 289.12005 164.0
[M+H-H2O]+ 233.15415 151.9
[M+HCOO]- 295.15509 173.2
[M+CH3COO]- 309.17074 192.1
[M+Na-2H]- 271.13156 164.4
[M]+ 250.15634 157.3
[M]- 250.15744 157.3
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.