CID 11020360

9,9-dimethoxynonanoic acid

Structural Information

Molecular Formula
C11H22O4
SMILES
COC(CCCCCCCC(=O)O)OC
InChI
InChI=1S/C11H22O4/c1-14-11(15-2)9-7-5-3-4-6-8-10(12)13/h11H,3-9H2,1-2H3,(H,12,13)
InChIKey
XDIISQHQFQMEIB-UHFFFAOYSA-N
Compound name
9,9-dimethoxynonanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

218.15181 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.15909 153.5
[M+Na]+ 241.14103 158.0
[M-H]- 217.14453 151.5
[M+NH4]+ 236.18563 171.2
[M+K]+ 257.11497 157.7
[M+H-H2O]+ 201.14907 147.9
[M+HCOO]- 263.15001 173.3
[M+CH3COO]- 277.16566 188.3
[M+Na-2H]- 239.12648 154.9
[M]+ 218.15126 158.6
[M]- 218.15236 158.6
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

No patent data available for this compound.