CID 6484186

3-[(4-methylpiperazin-1-yl)methyl]aniline

Structural Information

Molecular Formula
C12H19N3
SMILES
CN1CCN(CC1)CC2=CC(=CC=C2)N
InChI
InChI=1S/C12H19N3/c1-14-5-7-15(8-6-14)10-11-3-2-4-12(13)9-11/h2-4,9H,5-8,10,13H2,1H3
InChIKey
ZGPHZHCPWKOKDX-UHFFFAOYSA-N
Compound name
3-[(4-methylpiperazin-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

272
Patents

205.1579 Da
Monoisotopic Mass

0.5
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

literature stripe

Patent stripe

patents stripe