CID 40720

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

Structural Information

Molecular Formula
C18H28NO
SMILES
CC[N+](CC)(CC)CCCC#CC(C1=CC=CC=C1)O
InChI
InChI=1S/C18H28NO/c1-4-19(5-2,6-3)16-12-8-11-15-18(20)17-13-9-7-10-14-17/h7,9-10,13-14,18,20H,4-6,8,12,16H2,1-3H3/q+1
InChIKey
QZMVFSRQEHNKQD-UHFFFAOYSA-N
Compound name
triethyl-(6-hydroxy-6-phenylhex-4-ynyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2171 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.22438 167.7
[M+Na]+ 297.20632 179.6
[M+NH4]+ 292.25092 172.7
[M+K]+ 313.18026 169.8
[M-H]- 273.20982 163.2
[M+Na-2H]- 295.19177 171.0
[M]+ 274.21655 167.7
[M]- 274.21765 167.7
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.