CID 286547

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

Structural Information

Molecular Formula
C11H17N3
SMILES
CN1CCN(CC1)C2=CC=CC=C2N
InChI
InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12/h2-5H,6-9,12H2,1H3
InChIKey
INWHDRNGZMHXEZ-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

129
Patents

191.14224 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.14952 144.3
[M+Na]+ 214.13146 156.9
[M+NH4]+ 209.17606 153.0
[M+K]+ 230.10540 149.9
[M-H]- 190.13496 148.4
[M+Na-2H]- 212.11691 152.0
[M]+ 191.14169 147.1
[M]- 191.14279 147.1
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