CID 109214

Dygizcllggjwqj-uhfffaoysa-n

Structural Information

Molecular Formula
C18H36O2
SMILES
CCCCC(CC)CCCCCC(C)CCCC(=O)O
InChI
InChI=1S/C18H36O2/c1-4-6-13-17(5-2)14-9-7-8-11-16(3)12-10-15-18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)
InChIKey
DYGIZCLLGGJWQJ-UHFFFAOYSA-N
Compound name
11-ethyl-5-methylpentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.27155 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.278826 180.5
[M+Na]+ 307.260768 181.9
[M-H]- 283.264274 177.3
[M+NH4]+ 302.305373 195.6
[M+K]+ 323.234708 179.4
[M+H-H2O]+ 267.268810 174.2
[M+HCOO]- 329.269751 196.5
[M+CH3COO]- 343.285401 206.1
[M+Na-2H]- 305.246216 176.8
[M]+ 284.27100142 184.6
[M]- 284.27209858 184.6
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

No patent data available for this compound.