CID 21861505

2,7-dimethyl-2-(4-methyl-3-penten-1-yl)-2h-1-benzopyran-5-ol

Structural Information

Molecular Formula
C17H22O2
SMILES
CC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O
InChI
InChI=1S/C17H22O2/c1-12(2)6-5-8-17(4)9-7-14-15(18)10-13(3)11-16(14)19-17/h6-7,9-11,18H,5,8H2,1-4H3
InChIKey
VZJBWZFFBJMJSD-UHFFFAOYSA-N
Compound name
2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

258.162 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16928 161.2
[M+Na]+ 281.15122 169.2
[M-H]- 257.15472 165.2
[M+NH4]+ 276.19582 179.9
[M+K]+ 297.12516 166.2
[M+H-H2O]+ 241.15926 155.6
[M+HCOO]- 303.16020 178.8
[M+CH3COO]- 317.17585 197.1
[M+Na-2H]- 279.13667 165.7
[M]+ 258.16145 163.1
[M]- 258.16255 163.1
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