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]+ 313.310106 187.4
[M+Na]+ 335.292048 188.4
[M-H]- 311.295554 184.4
[M+NH4]+ 330.336653 201.6
[M+K]+ 351.265988 186.3
[M+H-H2O]+ 295.300090 181.8
[M+HCOO]- 357.301031 200.4
[M+CH3COO]- 371.316681 213.2
[M+Na-2H]- 333.277496 182.5
[M]+ 312.30228142 191.3
[M]- 312.30337858 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.