CID 14259836

(2e)-n-(2-methylbutyl)-2-undecene-8,10-diynamide

Structural Information

Molecular Formula
C16H23NO
SMILES
CCC(C)CNC(=O)/C=C/CCCCC#CC#C
InChI
InChI=1S/C16H23NO/c1-4-6-7-8-9-10-11-12-13-16(18)17-14-15(3)5-2/h1,12-13,15H,5,8-11,14H2,2-3H3,(H,17,18)/b13-12+
InChIKey
GVXYCOGZGQWTFZ-OUKQBFOZSA-N
Compound name
(E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.17796 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 167.0
[M+Na]+ 268.16718 174.0
[M-H]- 244.17068 167.0
[M+NH4]+ 263.21178 178.2
[M+K]+ 284.14112 169.9
[M+H-H2O]+ 228.17522 152.8
[M+HCOO]- 290.17616 175.0
[M+CH3COO]- 304.19181 219.4
[M+Na-2H]- 266.15263 165.1
[M]+ 245.17741 159.6
[M]- 245.17851 159.6
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

No patent data available for this compound.