CID 13717595

Schembl31659049

Structural Information

Molecular Formula
C15H24
SMILES
C/C=C(\C)/C=C/C=C(/C)\CCC=C(C)C
InChI
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,12H,7,11H2,1-5H3/b10-8+,14-6+,15-12-
InChIKey
JEKGHHPMLRLCIW-VBVMRKNNSA-N
Compound name
(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

204.1878 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 154.3
[M+Na]+ 227.177018 158.8
[M-H]- 203.180524 153.7
[M+NH4]+ 222.221623 173.7
[M+K]+ 243.150958 155.3
[M+H-H2O]+ 187.185060 149.4
[M+HCOO]- 249.186001 173.2
[M+CH3COO]- 263.201651 190.7
[M+Na-2H]- 225.162466 153.2
[M]+ 204.18725142 154.1
[M]- 204.18834858 154.1
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