CID 536527

Methyl pristanate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.30283 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.310106 189.2
[M+Na]+ 335.292048 190.0
[M-H]- 311.295554 187.4
[M+NH4]+ 330.336653 203.9
[M+K]+ 351.265988 188.8
[M+H-H2O]+ 295.300090 182.7
[M+HCOO]- 357.301031 204.1
[M+CH3COO]- 371.316681 215.7
[M+Na-2H]- 333.277496 182.6
[M]+ 312.30228142 194.7
[M]- 312.30337858 194.7
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.