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 187.4
[M+Na]+ 335.29205 188.4
[M-H]- 311.29555 184.4
[M+NH4]+ 330.33665 201.6
[M+K]+ 351.26599 186.3
[M+H-H2O]+ 295.30009 181.8
[M+HCOO]- 357.30103 200.4
[M+CH3COO]- 371.31668 213.2
[M+Na-2H]- 333.27750 182.5
[M]+ 312.30228 191.3
[M]- 312.30338 191.3
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.