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

42
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

literature stripe

Patent stripe

patents stripe