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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 127.5
[M+Na]+ 169.04712 135.0
[M-H]- 145.05062 126.3
[M+NH4]+ 164.09172 146.6
[M+K]+ 185.02106 132.8
[M+H-H2O]+ 129.05516 123.5
[M+HCOO]- 191.05610 144.9
[M+CH3COO]- 205.07175 164.7
[M+Na-2H]- 167.03257 131.2
[M]+ 146.05735 123.0
[M]- 146.05845 123.0
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

patents stripe