CID 459849

4-methyldecanoic acid

Structural Information

Molecular Formula
C11H22O2
SMILES
CCCCCCC(C)CCC(=O)O
InChI
InChI=1S/C11H22O2/c1-3-4-5-6-7-10(2)8-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
InChIKey
NODQTVSOELONGZ-UHFFFAOYSA-N
Compound name
4-methyldecanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

223
Patents

186.16199 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.169266 148.0
[M+Na]+ 209.151208 152.6
[M-H]- 185.154714 146.2
[M+NH4]+ 204.195813 167.2
[M+K]+ 225.125148 151.4
[M+H-H2O]+ 169.159250 143.0
[M+HCOO]- 231.160191 167.4
[M+CH3COO]- 245.175841 184.3
[M+Na-2H]- 207.136656 149.4
[M]+ 186.16144142 150.2
[M]- 186.16253858 150.2
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