CID 171118624

Undeca-2e,4e-dien-8,10-diynoic acid isopentylamide

Structural Information

Molecular Formula
C16H29NO
SMILES
CCCCCC/C=C/C=C/C(=O)NCCC(C)C
InChI
InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-16(18)17-14-13-15(2)3/h9-12,15H,4-8,13-14H2,1-3H3,(H,17,18)/b10-9+,12-11+
InChIKey
JXRNPMNUDCFGIM-HULFFUFUSA-N
Compound name
(2E,4E)-N-(3-methylbutyl)undeca-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.22491 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.23219 169.0
[M+Na]+ 274.21413 171.9
[M-H]- 250.21763 167.7
[M+NH4]+ 269.25873 186.0
[M+K]+ 290.18807 168.5
[M+H-H2O]+ 234.22217 162.6
[M+HCOO]- 296.22311 189.4
[M+CH3COO]- 310.23876 201.1
[M+Na-2H]- 272.19958 168.4
[M]+ 251.22436 171.0
[M]- 251.22546 171.0
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.