CID 131750899

Cymorcin monoglucoside

Structural Information

Molecular Formula
C16H24O7
SMILES
CC1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)C(C)C)O
InChI
InChI=1S/C16H24O7/c1-7(2)9-4-10(18)8(3)11(5-9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3
InChIKey
KKDBPBRQLCHZDX-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-(3-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1522 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.159476 176.0
[M+Na]+ 351.141418 181.7
[M-H]- 327.144924 177.2
[M+NH4]+ 346.186023 185.9
[M+K]+ 367.115358 180.2
[M+H-H2O]+ 311.149460 169.6
[M+HCOO]- 373.150401 187.0
[M+CH3COO]- 387.166051 203.0
[M+Na-2H]- 349.126866 173.0
[M]+ 328.15165142 175.5
[M]- 328.15274858 175.5
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.