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 160.0
[M+Na]+ 261.20631 166.8
[M-H]- 237.20981 160.4
[M+NH4]+ 256.25091 176.7
[M+K]+ 277.18025 159.3
[M+H-H2O]+ 221.21435 151.1
[M+HCOO]- 283.21529 176.6
[M+CH3COO]- 297.23094 200.0
[M+Na-2H]- 259.19176 165.3
[M]+ 238.21654 158.0
[M]- 238.21764 158.0
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.