CID 21855604

55870-48-9

Structural Information

Molecular Formula
C21H30O2
SMILES
CCCCCC1=C2C=CC(OC2=CC(=C1)O)(C)CCC=C(C)C
InChI
InChI=1S/C21H30O2/c1-5-6-7-10-17-14-18(22)15-20-19(17)11-13-21(4,23-20)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3
InChIKey
XZKFXCQNHZRBJK-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-methylpent-3-enyl)-5-pentylchromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

314.22458 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.23186 179.9
[M+Na]+ 337.21380 186.1
[M-H]- 313.21730 183.0
[M+NH4]+ 332.25840 196.2
[M+K]+ 353.18774 182.1
[M+H-H2O]+ 297.22184 173.4
[M+HCOO]- 359.22278 196.0
[M+CH3COO]- 373.23843 209.0
[M+Na-2H]- 335.19925 182.1
[M]+ 314.22403 183.1
[M]- 314.22513 183.1
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

patents stripe