CID 15609884

2,4-undecadiene-8,10-diynoic acid isobutylamide

Structural Information

Molecular Formula
C15H19NO
SMILES
CC(C)CNC(=O)/C=C/C=C\CCC#CC#C
InChI
InChI=1S/C15H19NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h1,9-12,14H,7-8,13H2,2-3H3,(H,16,17)/b10-9-,12-11+
InChIKey
PSAKYIJFKFCZFO-XAZJVICWSA-N
Compound name
(2E,4Z)-N-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

229.14667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.153946 165.6
[M+Na]+ 252.135888 173.1
[M-H]- 228.139394 165.8
[M+NH4]+ 247.180493 177.2
[M+K]+ 268.109828 168.8
[M+H-H2O]+ 212.143930 151.5
[M+HCOO]- 274.144871 173.8
[M+CH3COO]- 288.160521 216.5
[M+Na-2H]- 250.121336 163.9
[M]+ 229.14612142 157.4
[M]- 229.14721858 157.4
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