CID 131839788

6,6-dimethoxy-octanoic acid

Structural Information

Molecular Formula
C10H20O4
SMILES
CCC(CCCCC(=O)O)(OC)OC
InChI
InChI=1S/C10H20O4/c1-4-10(13-2,14-3)8-6-5-7-9(11)12/h4-8H2,1-3H3,(H,11,12)
InChIKey
WZGDVNUKZWUYBJ-UHFFFAOYSA-N
Compound name
6,6-dimethoxyoctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.13615 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.14343 148.2
[M+Na]+ 227.12537 153.7
[M-H]- 203.12887 146.6
[M+NH4]+ 222.16997 166.7
[M+K]+ 243.09931 153.7
[M+H-H2O]+ 187.13341 143.4
[M+HCOO]- 249.13435 167.8
[M+CH3COO]- 263.15000 184.8
[M+Na-2H]- 225.11082 152.2
[M]+ 204.13560 153.1
[M]- 204.13670 153.1
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.