CID 23116641

2490402-27-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

205.1579 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.165176 148.5
[M+Na]+ 228.147118 152.7
[M-H]- 204.150624 151.4
[M+NH4]+ 223.191723 164.0
[M+K]+ 244.121058 149.9
[M+H-H2O]+ 188.155160 139.4
[M+HCOO]- 250.156101 166.6
[M+CH3COO]- 264.171751 189.2
[M+Na-2H]- 226.132566 153.2
[M]+ 205.15735142 142.6
[M]- 205.15844858 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