CID 6450898

Isoconiferin

Structural Information

Molecular Formula
C16H22O7
SMILES
C/C=C/C1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC
InChI
InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3-7,12-20H,8H2,1-2H3/b4-3+
InChIKey
KEOQVSSHVYLFJO-ONEGZZNKSA-N
Compound name
2-(hydroxymethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.13657 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14385 174.3
[M+Na]+ 349.12579 180.3
[M-H]- 325.12929 176.5
[M+NH4]+ 344.17039 184.8
[M+K]+ 365.09973 178.2
[M+H-H2O]+ 309.13383 167.3
[M+HCOO]- 371.13477 188.1
[M+CH3COO]- 385.15042 201.1
[M+Na-2H]- 347.11124 173.7
[M]+ 326.13602 175.0
[M]- 326.13712 175.0
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.