CID 6484556

2-[(4-methylpiperazin-1-yl)methyl]aniline trihydrochloride

Structural Information

Molecular Formula
C12H19N3
SMILES
CN1CCN(CC1)CC2=CC=CC=C2N
InChI
InChI=1S/C12H19N3/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13/h2-5H,6-10,13H2,1H3
InChIKey
FRPRBZVFSKUCPZ-UHFFFAOYSA-N
Compound name
2-[(4-methylpiperazin-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

205.1579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.165176 149.1
[M+Na]+ 228.147118 154.6
[M-H]- 204.150624 151.9
[M+NH4]+ 223.191723 164.8
[M+K]+ 244.121058 151.0
[M+H-H2O]+ 188.155160 140.3
[M+HCOO]- 250.156101 167.6
[M+CH3COO]- 264.171751 188.8
[M+Na-2H]- 226.132566 153.2
[M]+ 205.15735142 143.3
[M]- 205.15844858 143.3
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

No patent data available for this compound.