CID 501675

7-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromene

Structural Information

Molecular Formula
C17H22O2
SMILES
CC(=CCCC1(C=CC2=C(O1)C=C(C=C2)OC)C)C
InChI
InChI=1S/C17H22O2/c1-13(2)6-5-10-17(3)11-9-14-7-8-15(18-4)12-16(14)19-17/h6-9,11-12H,5,10H2,1-4H3
InChIKey
ILUXDLXBGSJDOL-UHFFFAOYSA-N
Compound name
7-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.162 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16928 161.4
[M+Na]+ 281.15122 168.8
[M-H]- 257.15472 166.3
[M+NH4]+ 276.19582 180.4
[M+K]+ 297.12516 166.6
[M+H-H2O]+ 241.15926 155.1
[M+HCOO]- 303.16020 180.4
[M+CH3COO]- 317.17585 198.4
[M+Na-2H]- 279.13667 166.9
[M]+ 258.16145 164.6
[M]- 258.16255 164.6
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

No patent data available for this compound.