CID 905929

Rac-(2r,4r)-2-methyloxane-4-carboxylic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
C[C@@H]1C[C@@H](CCO1)C(=O)O
InChI
InChI=1S/C7H12O3/c1-5-4-6(7(8)9)2-3-10-5/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6-/m1/s1
InChIKey
YKGYMBGOLZPBOL-PHDIDXHHSA-N
Compound name
(2R,4R)-2-methyloxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

144.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 128.7
[M+Na]+ 167.067858 134.4
[M-H]- 143.071364 131.3
[M+NH4]+ 162.112463 148.1
[M+K]+ 183.041798 135.1
[M+H-H2O]+ 127.075900 123.8
[M+HCOO]- 189.076841 147.1
[M+CH3COO]- 203.092491 170.9
[M+Na-2H]- 165.053306 133.7
[M]+ 144.07809142 125.7
[M]- 144.07918858 125.7
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.