CID 737253

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

11
References

3039
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 144.7
[M+Na]+ 214.13146 150.6
[M-H]- 190.13496 147.6
[M+NH4]+ 209.17606 160.9
[M+K]+ 230.10540 147.2
[M+H-H2O]+ 174.13950 136.0
[M+HCOO]- 236.14044 163.5
[M+CH3COO]- 250.15609 185.8
[M+Na-2H]- 212.11691 149.3
[M]+ 191.14169 138.5
[M]- 191.14279 138.5
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