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 134.5
[M+Na]+ 199.05769 141.0
[M-H]- 175.06119 134.8
[M+NH4]+ 194.10229 153.3
[M+K]+ 215.03163 141.3
[M+H-H2O]+ 159.06573 130.8
[M+HCOO]- 221.06667 150.1
[M+CH3COO]- 235.08232 171.3
[M+Na-2H]- 197.04314 139.2
[M]+ 176.06792 131.5
[M]- 176.06902 131.5
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.