CID 501658

Chembl143015

Structural Information

Molecular Formula
C16H22O3
SMILES
CC(=CCCC1(CC(C2=C(O1)C=C(C=C2)O)O)C)C
InChI
InChI=1S/C16H22O3/c1-11(2)5-4-8-16(3)10-14(18)13-7-6-12(17)9-15(13)19-16/h5-7,9,14,17-18H,4,8,10H2,1-3H3
InChIKey
PZJLHERKOVBRSK-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

262.1569 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16418 162.0
[M+Na]+ 285.14612 168.8
[M-H]- 261.14962 164.3
[M+NH4]+ 280.19072 179.6
[M+K]+ 301.12006 166.0
[M+H-H2O]+ 245.15416 156.7
[M+HCOO]- 307.15510 177.1
[M+CH3COO]- 321.17075 194.2
[M+Na-2H]- 283.13157 165.7
[M]+ 262.15635 161.7
[M]- 262.15745 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe