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

1
Patents

218.15181 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.159086 153.5
[M+Na]+ 241.141028 158.0
[M-H]- 217.144534 151.5
[M+NH4]+ 236.185633 171.2
[M+K]+ 257.114968 157.7
[M+H-H2O]+ 201.149070 147.9
[M+HCOO]- 263.150011 173.3
[M+CH3COO]- 277.165661 188.3
[M+Na-2H]- 239.126476 154.9
[M]+ 218.15126142 158.6
[M]- 218.15235858 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

patents stripe