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]+ 263.12778 157.1
[M+Na]+ 285.10972 166.2
[M-H]- 261.11322 161.4
[M+NH4]+ 280.15432 175.7
[M+K]+ 301.08366 164.0
[M+H-H2O]+ 245.11776 151.8
[M+HCOO]- 307.11870 175.5
[M+CH3COO]- 321.13435 195.3
[M+Na-2H]- 283.09517 162.6
[M]+ 262.11995 160.2
[M]- 262.12105 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.