CID 54766604

L-mannose, 6-deoxy-, cyclic 1,3-propanediyl dithioacetal

Structural Information

Molecular Formula
C9H18O4S2
SMILES
C[C@@H]([C@@H]([C@H]([C@H](C1SCCCS1)O)O)O)O
InChI
InChI=1S/C9H18O4S2/c1-5(10)6(11)7(12)8(13)9-14-3-2-4-15-9/h5-13H,2-4H2,1H3/t5-,6-,7+,8+/m0/s1
InChIKey
XRQZTKNYGNWEMB-RULNZFCNSA-N
Compound name
(1R,2R,3S,4S)-1-(1,3-dithian-2-yl)pentane-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

254.06465 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07193 153.5
[M+Na]+ 277.05387 153.9
[M-H]- 253.05737 149.3
[M+NH4]+ 272.09847 167.1
[M+K]+ 293.02781 150.7
[M+H-H2O]+ 237.06191 148.4
[M+HCOO]- 299.06285 153.2
[M+CH3COO]- 313.07850 183.1
[M+Na-2H]- 275.03932 148.7
[M]+ 254.06410 148.2
[M]- 254.06520 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe