CID 85599123

2,2,6,10,14-pentamethylpentadecanoic acid

Structural Information

Molecular Formula
C20H40O2
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)(C)C(=O)O
InChI
InChI=1S/C20H40O2/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-20(5,6)19(21)22/h16-18H,7-15H2,1-6H3,(H,21,22)
InChIKey
FDHVMORBQIKTOA-UHFFFAOYSA-N
Compound name
2,2,6,10,14-pentamethylpentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.30283 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.31011 185.1
[M+Na]+ 335.29205 190.7
[M+NH4]+ 330.33665 189.7
[M+K]+ 351.26599 186.3
[M-H]- 311.29555 181.9
[M+Na-2H]- 333.27750 183.5
[M]+ 312.30228 184.7
[M]- 312.30338 184.7
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.