CID 65317

(+)-conduritol b

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

C1=C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)O

InChI

InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4-,5+,6+/m0/s1

InChIKey

LRUBQXAKGXQBHA-UNTFVMJOSA-N

Compound name

(1S,2R,3R,4S)-cyclohex-5-ene-1,2,3,4-tetrol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 396
Patents: 146.0579 Da
Monoisotopic Mass: -2.1
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]+	147.06518	126.9
[M+Na]+	169.04712	136.6
[M+NH4]+	164.09172	133.7
[M+K]+	185.02106	133.6
[M-H]-	145.05062	126.0
[M+Na-2H]-	167.03257	129.7
[M]+	146.05735	127.6
[M]-	146.05845	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe