CID 12523

Phytane

Structural Information

Molecular Formula
C20H42
SMILES
CCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChI
InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3
InChIKey
GGYKPYDKXLHNTI-UHFFFAOYSA-N
Compound name
2,6,10,14-tetramethylhexadecane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

95
References

1635
Patents

282.32864 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.33592 181.1
[M+Na]+ 305.31786 188.5
[M+NH4]+ 300.36246 187.7
[M+K]+ 321.29180 181.4
[M-H]- 281.32136 180.4
[M+Na-2H]- 303.30331 181.1
[M]+ 282.32809 181.8
[M]- 282.32919 181.8
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

patents stripe