CID 40716

6-hydroxy-n,n,n-triethyl-4-hexyn-1-aminium iodide

Structural Information

Molecular Formula
C12H24NO
SMILES
CC[N+](CC)(CC)CCCC#CCO
InChI
InChI=1S/C12H24NO/c1-4-13(5-2,6-3)11-9-7-8-10-12-14/h14H,4-7,9,11-12H2,1-3H3/q+1
InChIKey
ZFXCMLRPBBHSGT-UHFFFAOYSA-N
Compound name
triethyl(6-hydroxyhex-4-ynyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.18579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.19307 149.2
[M+Na]+ 221.17501 156.3
[M-H]- 197.17851 148.7
[M+NH4]+ 216.21961 166.6
[M+K]+ 237.14895 149.3
[M+H-H2O]+ 181.18305 141.0
[M+HCOO]- 243.18399 165.1
[M+CH3COO]- 257.19964 190.9
[M+Na-2H]- 219.16046 155.4
[M]+ 198.18524 145.1
[M]- 198.18634 145.1
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.