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
1
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 152.1
[M+Na]+ 241.14103 159.6
[M+NH4]+ 236.18563 157.5
[M+K]+ 257.11497 155.4
[M-H]- 217.14453 149.2
[M+Na-2H]- 239.12648 152.6
[M]+ 218.15126 151.9
[M]- 218.15236 151.9
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.