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]+ 333.190776 178.0
[M+Na]+ 355.172718 181.1
[M-H]- 331.176224 177.8
[M+NH4]+ 350.217323 189.1
[M+K]+ 371.146658 180.0
[M+H-H2O]+ 315.180760 172.5
[M+HCOO]- 377.181701 186.1
[M+CH3COO]- 391.197351 200.4
[M+Na-2H]- 353.158166 176.1
[M]+ 332.18295142 174.4
[M]- 332.18404858 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.