CID 76401267

(s)-p-menth-1-ene-4,7-diol 4-glucoside

Structural Information

Molecular Formula
C16H28O7
SMILES
CC(C)C1(CCC(=CC1)CO)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C16H28O7/c1-9(2)16(5-3-10(7-17)4-6-16)23-15-14(21)13(20)12(19)11(8-18)22-15/h3,9,11-15,17-21H,4-8H2,1-2H3
InChIKey
WBDMFFSFFQSHFV-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1835 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19078 178.0
[M+Na]+ 355.17272 181.1
[M-H]- 331.17622 177.8
[M+NH4]+ 350.21732 189.1
[M+K]+ 371.14666 180.0
[M+H-H2O]+ 315.18076 172.5
[M+HCOO]- 377.18170 186.1
[M+CH3COO]- 391.19735 200.4
[M+Na-2H]- 353.15817 176.1
[M]+ 332.18295 174.4
[M]- 332.18405 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

literature stripe

Patent stripe

No patent data available for this compound.