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]+ 249.184906 159.4
[M+Na]+ 271.166848 166.1
[M-H]- 247.170354 162.9
[M+NH4]+ 266.211453 178.3
[M+K]+ 287.140788 164.1
[M+H-H2O]+ 231.174890 154.2
[M+HCOO]- 293.175831 175.0
[M+CH3COO]- 307.191481 194.2
[M+Na-2H]- 269.152296 166.2
[M]+ 248.17708142 160.0
[M]- 248.17817858 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.