CID 3024170

94249-14-6

Structural Information

Molecular Formula

C₁₄H₂₄O₆

SMILES

C1CC(C(CC1COC(=O)C2CCC(C(C2)O)O)O)O

InChI

InChI=1S/C14H24O6/c15-10-3-1-8(5-12(10)17)7-20-14(19)9-2-4-11(16)13(18)6-9/h8-13,15-18H,1-7H2

InChIKey

LYQQPZWYRFFELF-UHFFFAOYSA-N

Compound name

(3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 288.1573 Da
Monoisotopic Mass: -0.4
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]+	289.164576	166.6
[M+Na]+	311.146518	168.5
[M-H]-	287.150024	166.4
[M+NH4]+	306.191123	179.1
[M+K]+	327.120458	166.1
[M+H-H2O]+	271.154560	160.5
[M+HCOO]-	333.155501	176.4
[M+CH3COO]-	347.171151	192.0
[M+Na-2H]-	309.131966	163.3
[M]+	288.15675142	158.7
[M]-	288.15784858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.