CID 13405139

82240-09-3

Structural Information

Molecular Formula
C10H17NO
SMILES
C/C=C/C=C/C(=O)NCC(C)C
InChI
InChI=1S/C10H17NO/c1-4-5-6-7-10(12)11-8-9(2)3/h4-7,9H,8H2,1-3H3,(H,11,12)/b5-4+,7-6+
InChIKey
DHXYPSWRPDLKGG-YTXTXJHMSA-N
Compound name
(2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

167.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 142.0
[M+Na]+ 190.12023 150.5
[M+NH4]+ 185.16483 148.6
[M+K]+ 206.09417 144.8
[M-H]- 166.12373 141.0
[M+Na-2H]- 188.10568 144.2
[M]+ 167.13046 142.5
[M]- 167.13156 142.5
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