CID 112165

2-ethylpentadecanoic acid

Structural Information

Molecular Formula
C17H34O2
SMILES
CCCCCCCCCCCCCC(CC)C(=O)O
InChI
InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(4-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
InChIKey
YLHTWBSSXRGRNF-UHFFFAOYSA-N
Compound name
2-ethylpentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

270.2559 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.26318 172.9
[M+Na]+ 293.24512 180.1
[M+NH4]+ 288.28972 178.4
[M+K]+ 309.21906 173.4
[M-H]- 269.24862 170.9
[M+Na-2H]- 291.23057 172.8
[M]+ 270.25535 173.0
[M]- 270.25645 173.0
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