CID 13059947

Pentyl 6-deoxy-alpha-l-mannopyranoside

Structural Information

Molecular Formula
C11H22O5
SMILES
CCCCCO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
InChI
InChI=1S/C11H22O5/c1-3-4-5-6-15-11-10(14)9(13)8(12)7(2)16-11/h7-14H,3-6H2,1-2H3/t7-,8-,9+,10+,11+/m0/s1
InChIKey
MXMLDYZVUZXDAF-FBDQPXRJSA-N
Compound name
(2S,3R,4R,5R,6R)-2-methyl-6-pentoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

234.14673 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15401 154.0
[M+Na]+ 257.13595 159.7
[M-H]- 233.13945 153.9
[M+NH4]+ 252.18055 169.2
[M+K]+ 273.10989 158.9
[M+H-H2O]+ 217.14399 148.8
[M+HCOO]- 279.14493 169.1
[M+CH3COO]- 293.16058 186.2
[M+Na-2H]- 255.12140 155.2
[M]+ 234.14618 154.3
[M]- 234.14728 154.3
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