CID 246854

6940-94-9

Structural Information

Molecular Formula
C16H24O2
SMILES
CC1(CCC2=C(O1)C=CC(=C2)CCC(C)(C)O)C
InChI
InChI=1S/C16H24O2/c1-15(2,17)9-7-12-5-6-14-13(11-12)8-10-16(3,4)18-14/h5-6,11,17H,7-10H2,1-4H3
InChIKey
SDJXCMKXGKVZIR-UHFFFAOYSA-N
Compound name
4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.17763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 158.9
[M+Na]+ 271.16685 171.2
[M+NH4]+ 266.21145 169.0
[M+K]+ 287.14079 162.9
[M-H]- 247.17035 162.3
[M+Na-2H]- 269.15230 164.9
[M]+ 248.17708 162.0
[M]- 248.17818 162.0
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.