CID 102893

2-methyldodecanoic acid

Structural Information

Molecular Formula
C13H26O2
SMILES
CCCCCCCCCCC(C)C(=O)O
InChI
InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
InChIKey
ONEKODVPFBOORO-UHFFFAOYSA-N
Compound name
2-methyldodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1128
Patents

214.19328 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.20056 155.4
[M+Na]+ 237.18250 163.4
[M+NH4]+ 232.22710 161.6
[M+K]+ 253.15644 157.7
[M-H]- 213.18600 153.5
[M+Na-2H]- 235.16795 156.3
[M]+ 214.19273 155.6
[M]- 214.19383 155.6
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