CID 2116868

2-methyl-4-(4-methylpiperazin-1-yl)aniline

Structural Information

Molecular Formula
C12H19N3
SMILES
CC1=C(C=CC(=C1)N2CCN(CC2)C)N
InChI
InChI=1S/C12H19N3/c1-10-9-11(3-4-12(10)13)15-7-5-14(2)6-8-15/h3-4,9H,5-8,13H2,1-2H3
InChIKey
DTEFRDRZJUCTLM-UHFFFAOYSA-N
Compound name
2-methyl-4-(4-methylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

205.1579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.165176 149.5
[M+Na]+ 228.147118 156.0
[M-H]- 204.150624 152.7
[M+NH4]+ 223.191723 165.5
[M+K]+ 244.121058 152.4
[M+H-H2O]+ 188.155160 141.0
[M+HCOO]- 250.156101 168.0
[M+CH3COO]- 264.171751 190.0
[M+Na-2H]- 226.132566 152.8
[M]+ 205.15735142 144.1
[M]- 205.15844858 144.1
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