CID 57351458

N-ethylnona-2,6-dienamide

Structural Information

Molecular Formula
C11H19NO
SMILES
CCC=CCCC=CC(=O)NCC
InChI
InChI=1S/C11H19NO/c1-3-5-6-7-8-9-10-11(13)12-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKey
ARSJQOAYGVNWEK-UHFFFAOYSA-N
Compound name
N-ethylnona-2,6-dienamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

135
Patents

181.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 145.6
[M+Na]+ 204.135888 150.8
[M-H]- 180.139394 145.2
[M+NH4]+ 199.180493 165.5
[M+K]+ 220.109828 148.3
[M+H-H2O]+ 164.143930 140.1
[M+HCOO]- 226.144871 168.7
[M+CH3COO]- 240.160521 185.2
[M+Na-2H]- 202.121336 149.0
[M]+ 181.14612142 146.4
[M]- 181.14721858 146.4
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

patents stripe