CID 246854

Alpha,alpha,2,2-tetramethyl-6-chromanpropanol

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 159.4
[M+Na]+ 271.16685 166.1
[M-H]- 247.17035 162.9
[M+NH4]+ 266.21145 178.3
[M+K]+ 287.14079 164.1
[M+H-H2O]+ 231.17489 154.2
[M+HCOO]- 293.17583 175.0
[M+CH3COO]- 307.19148 194.2
[M+Na-2H]- 269.15230 166.2
[M]+ 248.17708 160.0
[M]- 248.17818 160.0
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.