CID 285825

5-methoxypentanoic acid

Structural Information

Molecular Formula
C6H12O3
SMILES
COCCCCC(=O)O
InChI
InChI=1S/C6H12O3/c1-9-5-3-2-4-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey
FECCQKBXUJUGSF-UHFFFAOYSA-N
Compound name
5-methoxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3037
Patents

132.07864 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.085916 127.3
[M+Na]+ 155.067858 134.1
[M-H]- 131.071364 126.2
[M+NH4]+ 150.112463 148.6
[M+K]+ 171.041798 134.2
[M+H-H2O]+ 115.075900 122.8
[M+HCOO]- 177.076841 149.5
[M+CH3COO]- 191.092491 170.3
[M+Na-2H]- 153.053306 132.6
[M]+ 132.07809142 129.7
[M]- 132.07918858 129.7
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