CID 16666733

Pro-xylane

Structural Information

Molecular Formula
C8H16O5
SMILES
CC(C[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O
InChI
InChI=1S/C8H16O5/c1-4(9)2-6-8(12)7(11)5(10)3-13-6/h4-12H,2-3H2,1H3/t4?,5-,6+,7+,8+/m1/s1
InChIKey
KOGFZZYPPGQZFZ-QVAPDBTGSA-N
Compound name
(2S,3R,4S,5R)-2-(2-hydroxypropyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

1247
Patents

192.09978 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10706 141.8
[M+Na]+ 215.08900 147.1
[M-H]- 191.09250 140.5
[M+NH4]+ 210.13360 157.5
[M+K]+ 231.06294 146.6
[M+H-H2O]+ 175.09704 137.1
[M+HCOO]- 237.09798 155.3
[M+CH3COO]- 251.11363 174.6
[M+Na-2H]- 213.07445 143.3
[M]+ 192.09923 138.0
[M]- 192.10033 138.0
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