CID 154814366

2550997-50-5

Structural Information

Molecular Formula
C7H12O5
SMILES
C[C@@]1(C[C@@H]([C@@H](CO1)O)O)C(=O)O
InChI
InChI=1S/C7H12O5/c1-7(6(10)11)2-4(8)5(9)3-12-7/h4-5,8-9H,2-3H2,1H3,(H,10,11)/t4-,5+,7+/m0/s1
InChIKey
NSNMFWKACGLDJE-HBPOCXIASA-N
Compound name
(2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06847 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07575 135.1
[M+Na]+ 199.05769 143.6
[M+NH4]+ 194.10229 142.4
[M+K]+ 215.03163 139.9
[M-H]- 175.06119 134.8
[M+Na-2H]- 197.04314 137.8
[M]+ 176.06792 135.9
[M]- 176.06902 135.9
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

No patent data available for this compound.