CID 75525787

3-methyl-5-(4-methylpiperazin-1-yl)aniline

Structural Information

Molecular Formula
C12H19N3
SMILES
CC1=CC(=CC(=C1)N2CCN(CC2)C)N
InChI
InChI=1S/C12H19N3/c1-10-7-11(13)9-12(8-10)15-5-3-14(2)4-6-15/h7-9H,3-6,13H2,1-2H3
InChIKey
XIERJLBHGFQXGF-UHFFFAOYSA-N
Compound name
3-methyl-5-(4-methylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

205.1579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.16518 149.5
[M+Na]+ 228.14712 156.0
[M-H]- 204.15062 152.7
[M+NH4]+ 223.19172 165.5
[M+K]+ 244.12106 152.4
[M+H-H2O]+ 188.15516 141.0
[M+HCOO]- 250.15610 168.0
[M+CH3COO]- 264.17175 190.0
[M+Na-2H]- 226.13257 152.8
[M]+ 205.15735 144.1
[M]- 205.15845 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