CID 6447997

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

Structural Information

Molecular Formula
C14H26NO
SMILES
CCCCO/C=C/C#CC[N+](C)(CC)CC
InChI
InChI=1S/C14H26NO/c1-5-8-13-16-14-11-9-10-12-15(4,6-2)7-3/h11,14H,5-8,12-13H2,1-4H3/q+1/b14-11+
InChIKey
BNUSTPINWCMGPH-SDNWHVSQSA-N
Compound name
[(E)-5-butoxypent-4-en-2-ynyl]-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.20145 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.20873 156.0
[M+Na]+ 247.19067 163.1
[M-H]- 223.19417 156.5
[M+NH4]+ 242.23527 173.2
[M+K]+ 263.16461 155.9
[M+H-H2O]+ 207.19871 147.3
[M+HCOO]- 269.19965 172.9
[M+CH3COO]- 283.21530 197.3
[M+Na-2H]- 245.17612 161.7
[M]+ 224.20090 153.6
[M]- 224.20200 153.6
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.