CID 56935803

3,5-dimethylpentadecanoic acid

Structural Information

Molecular Formula
C17H34O2
SMILES
CCCCCCCCCCC(C)CC(C)CC(=O)O
InChI
InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-15(2)13-16(3)14-17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)
InChIKey
ONFXZBQXCIQXBU-UHFFFAOYSA-N
Compound name
3,5-dimethylpentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.2559 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.26318 175.9
[M+Na]+ 293.24512 177.8
[M-H]- 269.24862 173.0
[M+NH4]+ 288.28972 191.6
[M+K]+ 309.21906 175.5
[M+H-H2O]+ 253.25316 169.8
[M+HCOO]- 315.25410 192.3
[M+CH3COO]- 329.26975 203.1
[M+Na-2H]- 291.23057 172.7
[M]+ 270.25535 179.7
[M]- 270.25645 179.7
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

No patent data available for this compound.