CID 65457035

1-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}cyclopropan-1-amine

Structural Information

Molecular Formula
C14H20ClN3
SMILES
C1CC1(CN2CCN(CC2)C3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C14H20ClN3/c15-12-1-3-13(4-2-12)18-9-7-17(8-10-18)11-14(16)5-6-14/h1-4H,5-11,16H2
InChIKey
TWJQIIYUYDYTQH-UHFFFAOYSA-N
Compound name
1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.13458 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14186 162.9
[M+Na]+ 288.12380 170.6
[M-H]- 264.12730 168.8
[M+NH4]+ 283.16840 173.9
[M+K]+ 304.09774 165.3
[M+H-H2O]+ 248.13184 154.4
[M+HCOO]- 310.13278 176.7
[M+CH3COO]- 324.14843 172.7
[M+Na-2H]- 286.10925 166.5
[M]+ 265.13403 161.1
[M]- 265.13513 161.1
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

No patent data available for this compound.