CID 10986807

6,6-dimethoxyhexanoic acid

Structural Information

Molecular Formula
C8H16O4
SMILES
COC(CCCCC(=O)O)OC
InChI
InChI=1S/C8H16O4/c1-11-8(12-2)6-4-3-5-7(9)10/h8H,3-6H2,1-2H3,(H,9,10)
InChIKey
DYGKLHQONXPPKW-UHFFFAOYSA-N
Compound name
6,6-dimethoxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

176.10486 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11214 139.6
[M+Na]+ 199.09408 145.3
[M-H]- 175.09758 138.1
[M+NH4]+ 194.13868 159.0
[M+K]+ 215.06802 145.8
[M+H-H2O]+ 159.10212 134.5
[M+HCOO]- 221.10306 160.4
[M+CH3COO]- 235.11871 179.3
[M+Na-2H]- 197.07953 142.6
[M]+ 176.10431 143.5
[M]- 176.10541 143.5
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.