CID 23757177

Megxp0_000384

Structural Information

Molecular Formula

C₁₆H₂₈O₇

SMILES

CC1(C2CC(C1(CC2O)C)OC3C(C(C(C(O3)CO)O)O)O)C

InChI

InChI=1S/C16H28O7/c1-15(2)7-4-10(16(15,3)5-8(7)18)23-14-13(21)12(20)11(19)9(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3

InChIKey

AOHQEWBMTRLCSX-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-[(5-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 332.1835 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	333.190776	174.3
[M+Na]+	355.172718	180.8
[M-H]-	331.176224	174.6
[M+NH4]+	350.217323	193.3
[M+K]+	371.146658	178.3
[M+H-H2O]+	315.180760	173.5
[M+HCOO]-	377.181701	182.7
[M+CH3COO]-	391.197351	201.1
[M+Na-2H]-	353.158166	173.5
[M]+	332.18295142	173.6
[M]-	332.18404858	173.6

Literature stripe

literature stripe

Patent stripe

patents stripe