CID 13628864

4,8-dimethylnonanoic acid

Structural Information

Molecular Formula
C11H22O2
SMILES
CC(C)CCCC(C)CCC(=O)O
InChI
InChI=1S/C11H22O2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)
InChIKey
VZPIUNDOWLDCTC-UHFFFAOYSA-N
Compound name
4,8-dimethylnonanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

124
Patents

186.16199 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.169266 148.1
[M+Na]+ 209.151208 152.5
[M-H]- 185.154714 146.4
[M+NH4]+ 204.195813 167.3
[M+K]+ 225.125148 151.8
[M+H-H2O]+ 169.159250 143.2
[M+HCOO]- 231.160191 166.5
[M+CH3COO]- 245.175841 185.2
[M+Na-2H]- 207.136656 148.2
[M]+ 186.16144142 149.7
[M]- 186.16253858 149.7
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