CID 21118543

Ns00059993

Structural Information

Molecular Formula
C9H18O4
SMILES
CCCCOC(C)OC(C)C(=O)O
InChI
InChI=1S/C9H18O4/c1-4-5-6-12-8(3)13-7(2)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKey
YCADMPNRGMZNLX-UHFFFAOYSA-N
Compound name
2-(1-butoxyethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.12051 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.127786 144.4
[M+Na]+ 213.109728 149.5
[M-H]- 189.113234 142.9
[M+NH4]+ 208.154333 163.2
[M+K]+ 229.083668 150.3
[M+H-H2O]+ 173.117770 139.3
[M+HCOO]- 235.118711 163.9
[M+CH3COO]- 249.134361 183.2
[M+Na-2H]- 211.095176 145.6
[M]+ 190.11996142 148.1
[M]- 190.12105858 148.1
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.