CID 33503

2,2-dimethylundecanoic acid

Structural Information

Molecular Formula
C13H26O2
SMILES
CCCCCCCCCC(C)(C)C(=O)O
InChI
InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-11-13(2,3)12(14)15/h4-11H2,1-3H3,(H,14,15)
InChIKey
OTOBIMFBDYITLZ-UHFFFAOYSA-N
Compound name
2,2-dimethylundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

214.19328 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.20056 155.0
[M+Na]+ 237.18250 163.1
[M+NH4]+ 232.22710 161.1
[M+K]+ 253.15644 157.8
[M-H]- 213.18600 152.7
[M+Na-2H]- 235.16795 156.2
[M]+ 214.19273 155.2
[M]- 214.19383 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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