CID 24275069

2-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}ethan-1-amine trihydrochloride

Structural Information

Molecular Formula
C13H20ClN3
SMILES
C1CN(CCN1CCN)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H20ClN3/c14-13-3-1-12(2-4-13)11-17-9-7-16(6-5-15)8-10-17/h1-4H,5-11,15H2
InChIKey
CXJGVOMUVCGVFS-UHFFFAOYSA-N
Compound name
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.13458 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.14186 159.9
[M+Na]+ 276.12380 165.6
[M-H]- 252.12730 162.1
[M+NH4]+ 271.16840 174.4
[M+K]+ 292.09774 160.0
[M+H-H2O]+ 236.13184 151.2
[M+HCOO]- 298.13278 173.3
[M+CH3COO]- 312.14843 195.6
[M+Na-2H]- 274.10925 162.9
[M]+ 253.13403 156.4
[M]- 253.13513 156.4
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