CID 131751619

1-methoxy-3-(4-hydroxyphenyl)-2e-propenal 4'-glucoside

Structural Information

Molecular Formula
C16H22O7
SMILES
COC/C=C/C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C16H22O7/c1-21-8-2-3-10-4-6-11(7-5-10)22-16-15(20)14(19)13(18)12(9-17)23-16/h2-7,12-20H,8-9H2,1H3/b3-2+
InChIKey
NZZJDBVBBHYGQX-NSCUHMNNSA-N
Compound name
2-(hydroxymethyl)-6-[4-[(E)-3-methoxyprop-1-enyl]phenoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13657 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.143846 174.1
[M+Na]+ 349.125788 179.2
[M-H]- 325.129294 175.9
[M+NH4]+ 344.170393 184.3
[M+K]+ 365.099728 177.0
[M+H-H2O]+ 309.133830 166.9
[M+HCOO]- 371.134771 188.0
[M+CH3COO]- 385.150421 199.7
[M+Na-2H]- 347.111236 174.2
[M]+ 326.13602142 174.4
[M]- 326.13711858 174.4
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.