CID 90471422

30917-33-0

Structural Information

Molecular Formula
C20H38
SMILES
CCC(C)CCCC(C)CCCC(C)C/C=C/C(=C)C
InChI
InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h8,11,18-20H,2,7,9-10,12-16H2,1,3-6H3/b11-8+
InChIKey
HPXTYQIQNKBSIK-DHZHZOJOSA-N
Compound name
(3E)-2,6,10,14-tetramethylhexadeca-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.29736 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.30464 180.7
[M+Na]+ 301.28658 182.0
[M-H]- 277.29008 178.9
[M+NH4]+ 296.33118 196.9
[M+K]+ 317.26052 178.7
[M+H-H2O]+ 261.29462 174.5
[M+HCOO]- 323.29556 196.3
[M+CH3COO]- 337.31121 210.3
[M+Na-2H]- 299.27203 175.4
[M]+ 278.29681 183.2
[M]- 278.29791 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.