CID 17915377

Schembl12967956

Structural Information

Molecular Formula
C21H36O
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COC)/C)/C)/C)C
InChI
InChI=1S/C21H36O/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-22-6/h10,12,14,16H,7-9,11,13,15,17H2,1-6H3/b19-12+,20-14+,21-16+
InChIKey
XPEXZLZNFNQAQO-RFRQLJORSA-N
Compound name
(2E,6E,10E)-1-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

304.2766 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.28388 185.4
[M+Na]+ 327.26582 187.2
[M-H]- 303.26932 183.7
[M+NH4]+ 322.31042 200.7
[M+K]+ 343.23976 183.0
[M+H-H2O]+ 287.27386 179.2
[M+HCOO]- 349.27480 201.5
[M+CH3COO]- 363.29045 211.4
[M+Na-2H]- 325.25127 179.7
[M]+ 304.27605 188.2
[M]- 304.27715 188.2
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