CID 1316

Dimethylphenylpiperazinium

Structural Information

Molecular Formula
C12H19N2
SMILES
C[N+]1(CCN(CC1)C2=CC=CC=C2)C
InChI
InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1
InChIKey
MKGIQRNAGSSHRV-UHFFFAOYSA-N
Compound name
1,1-dimethyl-4-phenylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

832
References

1238
Patents

191.15483 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.16211 143.3
[M+Na]+ 214.14405 149.4
[M-H]- 190.14755 146.9
[M+NH4]+ 209.18865 161.8
[M+K]+ 230.11799 141.1
[M+H-H2O]+ 174.15209 137.9
[M+HCOO]- 236.15303 161.0
[M+CH3COO]- 250.16868 176.7
[M+Na-2H]- 212.12950 152.0
[M]+ 191.15428 137.4
[M]- 191.15538 137.4
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