CID 116769100

2-ethoxy-2-(oxan-3-yl)acetic acid

Structural Information

Molecular Formula
C9H16O4
SMILES
CCOC(C1CCCOC1)C(=O)O
InChI
InChI=1S/C9H16O4/c1-2-13-8(9(10)11)7-4-3-5-12-6-7/h7-8H,2-6H2,1H3,(H,10,11)
InChIKey
YLLNXBGQMAHOPL-UHFFFAOYSA-N
Compound name
2-ethoxy-2-(oxan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.10486 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11214 141.6
[M+Na]+ 211.09408 145.2
[M-H]- 187.09758 143.4
[M+NH4]+ 206.13868 158.7
[M+K]+ 227.06802 146.4
[M+H-H2O]+ 171.10212 135.9
[M+HCOO]- 233.10306 158.5
[M+CH3COO]- 247.11871 178.8
[M+Na-2H]- 209.07953 144.9
[M]+ 188.10431 139.8
[M]- 188.10541 139.8
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.