CID 5580

4-aminophenyltrimethylammonium iodide

Structural Information

Molecular Formula
C9H15N2
SMILES
C[N+](C)(C)C1=CC=C(C=C1)N
InChI
InChI=1S/C9H15N2/c1-11(2,3)9-6-4-8(10)5-7-9/h4-7H,10H2,1-3H3/q+1
InChIKey
MSHIGWWCLPELSB-UHFFFAOYSA-N
Compound name
(4-aminophenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

83
Patents

151.12352 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.13080 129.5
[M+Na]+ 174.11274 143.6
[M+NH4]+ 169.15734 140.2
[M+K]+ 190.08668 138.0
[M-H]- 150.11624 135.2
[M+Na-2H]- 172.09819 138.9
[M]+ 151.12297 133.6
[M]- 151.12407 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe