CID 2104082

5-chloro-2-(4-methylpiperazin-1-yl)aniline dihydrochloride

Structural Information

Molecular Formula
C11H16ClN3
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C11H16ClN3/c1-14-4-6-15(7-5-14)11-3-2-9(12)8-10(11)13/h2-3,8H,4-7,13H2,1H3
InChIKey
YCISPNUGBJCZPW-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-methylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

15
Patents

225.10327 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.110546 151.5
[M+Na]+ 248.092488 159.1
[M-H]- 224.095994 154.5
[M+NH4]+ 243.137093 167.5
[M+K]+ 264.066428 154.0
[M+H-H2O]+ 208.100530 143.6
[M+HCOO]- 270.101471 165.6
[M+CH3COO]- 284.117121 162.7
[M+Na-2H]- 246.077936 154.8
[M]+ 225.10272142 147.7
[M]- 225.10381858 147.7
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