CID 4738754

N,n-dimethyl-4-(piperazin-1-yl)aniline dihydrochloride

Structural Information

Molecular Formula
C12H19N3
SMILES
CN(C)C1=CC=C(C=C1)N2CCNCC2
InChI
InChI=1S/C12H19N3/c1-14(2)11-3-5-12(6-4-11)15-9-7-13-8-10-15/h3-6,13H,7-10H2,1-2H3
InChIKey
GRJIAPLFQXLDJJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-piperazin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

205.1579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.16518 148.5
[M+Na]+ 228.14712 152.7
[M-H]- 204.15062 151.4
[M+NH4]+ 223.19172 164.0
[M+K]+ 244.12106 149.9
[M+H-H2O]+ 188.15516 139.4
[M+HCOO]- 250.15610 166.6
[M+CH3COO]- 264.17175 189.2
[M+Na-2H]- 226.13257 153.2
[M]+ 205.15735 142.6
[M]- 205.15845 142.6
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

patents stripe