CID 6448612

5-butoxy-n,n,n-triethyl-4-penten-2-yn-1-aminium iodide

Structural Information

Molecular Formula
C15H28NO
SMILES
CCCCO/C=C/C#CC[N+](CC)(CC)CC
InChI
InChI=1S/C15H28NO/c1-5-9-14-17-15-12-10-11-13-16(6-2,7-3)8-4/h12,15H,5-9,13-14H2,1-4H3/q+1/b15-12+
InChIKey
YXQDZFVCWFEUIV-NTCAYCPXSA-N
Compound name
[(E)-5-butoxypent-4-en-2-ynyl]-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.21709 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.22437 157.7
[M+Na]+ 261.20631 168.4
[M+NH4]+ 256.25091 162.2
[M+K]+ 277.18025 158.7
[M-H]- 237.20981 151.3
[M+Na-2H]- 259.19176 158.8
[M]+ 238.21654 156.8
[M]- 238.21764 156.8
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.