CID 21116249

Ns00051709

Structural Information

Molecular Formula
C17H26O2
SMILES
CC(C)C1=CC2=C(C=C1)C(CC(O2)(C)C)(C(C)C)O
InChI
InChI=1S/C17H26O2/c1-11(2)13-7-8-14-15(9-13)19-16(5,6)10-17(14,18)12(3)4/h7-9,11-12,18H,10H2,1-6H3
InChIKey
CBBXPPAYCJSBPI-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4,7-di(propan-2-yl)-3H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 161.7
[M+Na]+ 285.182488 169.0
[M-H]- 261.185994 165.6
[M+NH4]+ 280.227093 182.1
[M+K]+ 301.156428 167.6
[M+H-H2O]+ 245.190530 157.0
[M+HCOO]- 307.191471 176.5
[M+CH3COO]- 321.207121 199.6
[M+Na-2H]- 283.167936 165.3
[M]+ 262.19272142 162.7
[M]- 262.19381858 162.7
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.