CID 113525

N-(5-hexenyl)nonane-1,9-diamide

Structural Information

Molecular Formula
C15H28N2O2
SMILES
C=CCCCCNC(=O)CCCCCCCC(=O)N
InChI
InChI=1S/C15H28N2O2/c1-2-3-4-10-13-17-15(19)12-9-7-5-6-8-11-14(16)18/h2H,1,3-13H2,(H2,16,18)(H,17,19)
InChIKey
BJBODOVMLCDGOC-UHFFFAOYSA-N
Compound name
N'-hex-5-enylnonanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.2151 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.222376 170.8
[M+Na]+ 291.204318 172.9
[M-H]- 267.207824 168.9
[M+NH4]+ 286.248923 186.2
[M+K]+ 307.178258 170.0
[M+H-H2O]+ 251.212360 163.7
[M+HCOO]- 313.213301 192.1
[M+CH3COO]- 327.228951 205.8
[M+Na-2H]- 289.189766 169.9
[M]+ 268.21455142 172.1
[M]- 268.21564858 172.1
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.