CID 3088061

1-amino-1-methyl-4-phenylpiperazinium iodide

Structural Information

Molecular Formula
C11H18N3
SMILES
C[N+]1(CCN(CC1)C2=CC=CC=C2)N
InChI
InChI=1S/C11H18N3/c1-14(12)9-7-13(8-10-14)11-5-3-2-4-6-11/h2-6H,7-10,12H2,1H3/q+1
InChIKey
FGSSTQYLWJXGBM-UHFFFAOYSA-N
Compound name
1-methyl-4-phenylpiperazin-1-ium-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.15007 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15735 142.4
[M+Na]+ 215.13929 148.1
[M-H]- 191.14279 145.6
[M+NH4]+ 210.18389 160.2
[M+K]+ 231.11323 139.4
[M+H-H2O]+ 175.14733 136.9
[M+HCOO]- 237.14827 160.8
[M+CH3COO]- 251.16392 177.5
[M+Na-2H]- 213.12474 151.2
[M]+ 192.14952 134.5
[M]- 192.15062 134.5
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.