CID 5460219

L-rhamnono-1,4-lactone

Structural Information

Molecular Formula
C6H10O5
SMILES
C[C@@H]([C@H]1[C@H]([C@H](C(=O)O1)O)O)O
InChI
InChI=1S/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-5,7-9H,1H3/t2-,3-,4+,5-/m0/s1
InChIKey
VASLEPDZAKCNJX-KLVWXMOXSA-N
Compound name
(3R,4S,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

23
Patents

162.05283 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06011 130.3
[M+Na]+ 185.04205 138.0
[M-H]- 161.04555 131.0
[M+NH4]+ 180.08665 149.7
[M+K]+ 201.01599 138.0
[M+H-H2O]+ 145.05009 126.5
[M+HCOO]- 207.05103 148.3
[M+CH3COO]- 221.06668 169.5
[M+Na-2H]- 183.02750 132.4
[M]+ 162.05228 128.9
[M]- 162.05338 128.9
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