CID 129848092

7z-n-isobutyl-7-tridecene-10,12-diynamide

Structural Information

Molecular Formula
C17H25NO
SMILES
CC(C)CNC(=O)CCCCC/C=C\CC#CC#C
InChI
InChI=1S/C17H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-17(19)18-15-16(2)3/h1,8-9,16H,7,10-15H2,2-3H3,(H,18,19)/b9-8-
InChIKey
HCEUPTTYCDQZJN-HJWRWDBZSA-N
Compound name
(Z)-N-(2-methylpropyl)tridec-7-en-10,12-diynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20088 169.6
[M+Na]+ 282.18282 176.4
[M-H]- 258.18632 169.5
[M+NH4]+ 277.22742 180.5
[M+K]+ 298.15676 172.1
[M+H-H2O]+ 242.19086 155.3
[M+HCOO]- 304.19180 177.4
[M+CH3COO]- 318.20745 221.3
[M+Na-2H]- 280.16827 167.4
[M]+ 259.19305 162.4
[M]- 259.19415 162.4
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

No patent data available for this compound.