CID 106312

2-(2-butoxyethoxy)acetic acid

Structural Information

Molecular Formula
C8H16O4
SMILES
CCCCOCCOCC(=O)O
InChI
InChI=1S/C8H16O4/c1-2-3-4-11-5-6-12-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKey
MCORDGVZLPBVJB-UHFFFAOYSA-N
Compound name
2-(2-butoxyethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

788
Patents

176.10486 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.112136 139.2
[M+Na]+ 199.094078 145.1
[M-H]- 175.097584 137.6
[M+NH4]+ 194.138683 158.6
[M+K]+ 215.068018 145.2
[M+H-H2O]+ 159.102120 134.0
[M+HCOO]- 221.103061 161.0
[M+CH3COO]- 235.118711 178.4
[M+Na-2H]- 197.079526 143.4
[M]+ 176.10431142 143.8
[M]- 176.10540858 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe