CID 85282291

Trans-p-menthane-7,8-diol 7-glucoside

Structural Information

Molecular Formula
C16H30O7
SMILES
CC(C)(C1CCC(CC1)COC2C(C(C(C(O2)CO)O)O)O)O
InChI
InChI=1S/C16H30O7/c1-16(2,21)10-5-3-9(4-6-10)8-22-15-14(20)13(19)12(18)11(7-17)23-15/h9-15,17-21H,3-8H2,1-2H3
InChIKey
IJJKRFDBPRPLQQ-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.19916 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.20644 179.1
[M+Na]+ 357.18838 180.8
[M-H]- 333.19188 178.4
[M+NH4]+ 352.23298 188.1
[M+K]+ 373.16232 179.5
[M+H-H2O]+ 317.19642 173.3
[M+HCOO]- 379.19736 185.2
[M+CH3COO]- 393.21301 201.0
[M+Na-2H]- 355.17383 177.4
[M]+ 334.19861 173.8
[M]- 334.19971 173.8
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.