CID 23589219

6-(carboxymethoxy)hexanoic acid

Structural Information

Molecular Formula
C8H14O5
SMILES
C(CCC(=O)O)CCOCC(=O)O
InChI
InChI=1S/C8H14O5/c9-7(10)4-2-1-3-5-13-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
InChIKey
LITOROBFWGSBBN-UHFFFAOYSA-N
Compound name
6-(carboxymethoxy)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

190.08412 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.091396 141.1
[M+Na]+ 213.073338 146.6
[M-H]- 189.076844 138.2
[M+NH4]+ 208.117943 159.0
[M+K]+ 229.047278 146.1
[M+H-H2O]+ 173.081380 136.0
[M+HCOO]- 235.082321 160.8
[M+CH3COO]- 249.097971 177.9
[M+Na-2H]- 211.058786 143.6
[M]+ 190.08357142 143.9
[M]- 190.08466858 143.9
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