CID 219315

2,2-dimethyldecanoic acid

Structural Information

Molecular Formula
C12H24O2
SMILES
CCCCCCCCC(C)(C)C(=O)O
InChI
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-12(2,3)11(13)14/h4-10H2,1-3H3,(H,13,14)
InChIKey
QTZDCGSNJUZNBJ-UHFFFAOYSA-N
Compound name
2,2-dimethyldecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

470
Patents

200.17763 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.18491 151.7
[M+Na]+ 223.16685 156.6
[M-H]- 199.17035 149.9
[M+NH4]+ 218.21145 170.6
[M+K]+ 239.14079 155.1
[M+H-H2O]+ 183.17489 147.1
[M+HCOO]- 245.17583 170.2
[M+CH3COO]- 259.19148 186.8
[M+Na-2H]- 221.15230 154.6
[M]+ 200.17708 154.5
[M]- 200.17818 154.5
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