CID 53240367

8-methoxywutaipyranol a

Structural Information

Molecular Formula
C15H18O4
SMILES
CC1([C@@H](CC2=C(O1)C(=CC(=C2)/C=C/C=O)OC)O)C
InChI
InChI=1S/C15H18O4/c1-15(2)13(17)9-11-7-10(5-4-6-16)8-12(18-3)14(11)19-15/h4-8,13,17H,9H2,1-3H3/b5-4+/t13-/m1/s1
InChIKey
LSAXADXKZSCAEI-MUBLQREKSA-N
Compound name
(E)-3-[(3R)-3-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.1205 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.127776 157.1
[M+Na]+ 285.109718 166.2
[M-H]- 261.113224 161.4
[M+NH4]+ 280.154323 175.7
[M+K]+ 301.083658 164.0
[M+H-H2O]+ 245.117760 151.8
[M+HCOO]- 307.118701 175.5
[M+CH3COO]- 321.134351 195.3
[M+Na-2H]- 283.095166 162.6
[M]+ 262.11995142 160.2
[M]- 262.12104858 160.2
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.