CID 83224415

2-methoxy-2-(oxolan-3-yl)acetic acid

Structural Information

Molecular Formula
C7H12O4
SMILES
COC(C1CCOC1)C(=O)O
InChI
InChI=1S/C7H12O4/c1-10-6(7(8)9)5-2-3-11-4-5/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey
UZKOTNKGAPYGIF-UHFFFAOYSA-N
Compound name
2-methoxy-2-(oxolan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.07356 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.080836 133.4
[M+Na]+ 183.062778 138.6
[M-H]- 159.066284 135.7
[M+NH4]+ 178.107383 153.4
[M+K]+ 199.036718 140.1
[M+H-H2O]+ 143.070820 128.5
[M+HCOO]- 205.071761 153.0
[M+CH3COO]- 219.087411 172.4
[M+Na-2H]- 181.048226 136.5
[M]+ 160.07301142 132.8
[M]- 160.07410858 132.8
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.