CID 56936165

2,6,8,12-tetramethyl-2,4-tridecadiene

Structural Information

Molecular Formula
C17H32
SMILES
CC(C)CCCC(C)CC(C)/C=C/C=C(C)C
InChI
InChI=1S/C17H32/c1-14(2)9-7-11-16(5)13-17(6)12-8-10-15(3)4/h7,9,11,15-17H,8,10,12-13H2,1-6H3/b11-7+
InChIKey
LMFNXJRQTLHQPW-YRNVUSSQSA-N
Compound name
(4E)-2,6,8,12-tetramethyltrideca-2,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.2504 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.25768 166.9
[M+Na]+ 259.23962 169.6
[M-H]- 235.24312 165.8
[M+NH4]+ 254.28422 185.0
[M+K]+ 275.21356 167.1
[M+H-H2O]+ 219.24766 161.4
[M+HCOO]- 281.24860 183.6
[M+CH3COO]- 295.26425 200.7
[M+Na-2H]- 257.22507 163.3
[M]+ 236.24985 168.3
[M]- 236.25095 168.3
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.