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]+ 189.112136 141.6
[M+Na]+ 211.094078 145.2
[M-H]- 187.097584 143.4
[M+NH4]+ 206.138683 158.7
[M+K]+ 227.068018 146.4
[M+H-H2O]+ 171.102120 135.9
[M+HCOO]- 233.103061 158.5
[M+CH3COO]- 247.118711 178.8
[M+Na-2H]- 209.079526 144.9
[M]+ 188.10431142 139.8
[M]- 188.10540858 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.