CID 154700003

Ns00117719

Structural Information

Molecular Formula
C16H24O7
SMILES
CC(=C)C1CCC(=CC1)COC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C16H24O7/c1-8(2)10-5-3-9(4-6-10)7-22-16-13(19)11(17)12(18)14(23-16)15(20)21/h3,10-14,16-19H,1,4-7H2,2H3,(H,20,21)/t10?,11-,12-,13+,14-,16?/m0/s1
InChIKey
USSVDYQHMLZFBY-SHIOMWLHSA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1522 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15948 175.1
[M+Na]+ 351.14142 177.9
[M-H]- 327.14492 176.1
[M+NH4]+ 346.18602 184.7
[M+K]+ 367.11536 176.6
[M+H-H2O]+ 311.14946 168.7
[M+HCOO]- 373.15040 184.2
[M+CH3COO]- 387.16605 202.7
[M+Na-2H]- 349.12687 171.1
[M]+ 328.15165 170.7
[M]- 328.15275 170.7
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.