CID 46918

(phenylcyanomethyl)-triethylammonium bromide

Structural Information

Molecular Formula
C14H21N2
SMILES
CC[N+](CC)(CC)C(C#N)C1=CC=CC=C1
InChI
InChI=1S/C14H21N2/c1-4-16(5-2,6-3)14(12-15)13-10-8-7-9-11-13/h7-11,14H,4-6H2,1-3H3/q+1
InChIKey
WPKWKRDNRZTHOJ-UHFFFAOYSA-N
Compound name
[cyano(phenyl)methyl]-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.17047 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.17775 156.0
[M+Na]+ 240.15969 163.2
[M-H]- 216.16319 160.0
[M+NH4]+ 235.20429 172.9
[M+K]+ 256.13363 155.4
[M+H-H2O]+ 200.16773 145.6
[M+HCOO]- 262.16867 174.8
[M+CH3COO]- 276.18432 201.2
[M+Na-2H]- 238.14514 162.8
[M]+ 217.16992 150.8
[M]- 217.17102 150.8
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.