CID 6434151

Cinnamyl-trimethylammonium iodide

Structural Information

Molecular Formula

C₁₂H₁₈N

SMILES

C[N+](C)(C)C/C=C/C1=CC=CC=C1

InChI

InChI=1S/C12H18N/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h4-10H,11H2,1-3H3/q+1/b10-7+

InChIKey

HPNMQODYDDASPL-JXMROGBWSA-N

Compound name

trimethyl-[(E)-3-phenylprop-2-enyl]azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 176.14392 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	177.15120	138.5
[M+Na]+	199.13314	145.0
[M-H]-	175.13664	143.6
[M+NH4]+	194.17774	159.3
[M+K]+	215.10708	137.5
[M+H-H2O]+	159.14118	135.6
[M+HCOO]-	221.14212	162.9
[M+CH3COO]-	235.15777	180.2
[M+Na-2H]-	197.11859	148.9
[M]+	176.14337	137.8
[M]-	176.14447	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe