CID 6440539

(2e,4e,8z,10e)-n-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide

Structural Information

Molecular Formula
C16H25NO
SMILES
C/C=C/C=C\CC/C=C/C=C/C(=O)NCC(C)C
InChI
InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4+,7-6-,11-10+,13-12+
InChIKey
VLGRWXYRKYWRPX-SRGJGADKSA-N
Compound name
(2E,4E,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

86
Patents

247.19362 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 165.9
[M+Na]+ 270.18284 169.6
[M-H]- 246.18634 164.9
[M+NH4]+ 265.22744 183.2
[M+K]+ 286.15678 165.1
[M+H-H2O]+ 230.19088 159.9
[M+HCOO]- 292.19182 186.8
[M+CH3COO]- 306.20747 198.0
[M+Na-2H]- 268.16829 165.5
[M]+ 247.19307 166.5
[M]- 247.19417 166.5
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.