CID 2795568

2-(4-methyl-1-piperazinyl)benzenemethanamine

Structural Information

Molecular Formula
C12H19N3
SMILES
CN1CCN(CC1)C2=CC=CC=C2CN
InChI
InChI=1S/C12H19N3/c1-14-6-8-15(9-7-14)12-5-3-2-4-11(12)10-13/h2-5H,6-10,13H2,1H3
InChIKey
GRSJANZWLLXZFG-UHFFFAOYSA-N
Compound name
[2-(4-methylpiperazin-1-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

205.1579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.16518 149.1
[M+Na]+ 228.14712 154.6
[M-H]- 204.15062 151.9
[M+NH4]+ 223.19172 164.8
[M+K]+ 244.12106 151.0
[M+H-H2O]+ 188.15516 140.3
[M+HCOO]- 250.15610 167.6
[M+CH3COO]- 264.17175 188.8
[M+Na-2H]- 226.13257 153.2
[M]+ 205.15735 143.3
[M]- 205.15845 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

patents stripe