CID 109478

Acetic acid, butoxyhydroxy-, butyl ester

Structural Information

Molecular Formula
C10H20O4
SMILES
CCCCOC(C(=O)OCCCC)O
InChI
InChI=1S/C10H20O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h9,11H,3-8H2,1-2H3
InChIKey
IVWCKBUPHQKJNH-UHFFFAOYSA-N
Compound name
butyl 2-butoxy-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

204.13615 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.14343 149.1
[M+Na]+ 227.12537 154.1
[M-H]- 203.12887 147.3
[M+NH4]+ 222.16997 167.5
[M+K]+ 243.09931 154.1
[M+H-H2O]+ 187.13341 143.7
[M+HCOO]- 249.13435 169.3
[M+CH3COO]- 263.15000 184.6
[M+Na-2H]- 225.11082 151.0
[M]+ 204.13560 153.7
[M]- 204.13670 153.7
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

patents stripe