CID 5282628

4,14-dimethyl-heptadecanoic acid

Structural Information

Molecular Formula
C19H38O2
SMILES
CCCC(C)CCCCCCCCCC(C)CCC(=O)O
InChI
InChI=1S/C19H38O2/c1-4-12-17(2)13-10-8-6-5-7-9-11-14-18(3)15-16-19(20)21/h17-18H,4-16H2,1-3H3,(H,20,21)
InChIKey
QZEMXPHXFNUFBC-UHFFFAOYSA-N
Compound name
4,14-dimethylheptadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

298.28717 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.294446 185.0
[M+Na]+ 321.276388 186.1
[M-H]- 297.279894 181.7
[M+NH4]+ 316.320993 199.6
[M+K]+ 337.250328 183.2
[M+H-H2O]+ 281.284430 178.5
[M+HCOO]- 343.285371 200.7
[M+CH3COO]- 357.301021 209.1
[M+Na-2H]- 319.261836 180.8
[M]+ 298.28662142 189.6
[M]- 298.28771858 189.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe