CID 40718

6-hydroxy-6-methyl-n,n,n-triethyl-4-octyn-1-aminium iodide

Structural Information

Molecular Formula
C15H30NO
SMILES
CCC(C)(C#CCCC[N+](CC)(CC)CC)O
InChI
InChI=1S/C15H30NO/c1-6-15(5,17)13-11-10-12-14-16(7-2,8-3)9-4/h17H,6-10,12,14H2,1-5H3/q+1
InChIKey
YRXZEGXXWVLTBV-UHFFFAOYSA-N
Compound name
triethyl-(6-hydroxy-6-methyloct-4-ynyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.23274 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.24002 163.4
[M+Na]+ 263.22196 169.7
[M-H]- 239.22546 162.8
[M+NH4]+ 258.26656 179.5
[M+K]+ 279.19590 162.6
[M+H-H2O]+ 223.23000 155.3
[M+HCOO]- 285.23094 177.1
[M+CH3COO]- 299.24659 199.3
[M+Na-2H]- 261.20741 168.9
[M]+ 240.23219 159.8
[M]- 240.23329 159.8
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.