CID 139197

1-(3-chloropropyl)-4-phenylpiperazine hydrochloride

Structural Information

Molecular Formula
C13H19ClN2
SMILES
C1CN(CCN1CCCCl)C2=CC=CC=C2
InChI
InChI=1S/C13H19ClN2/c14-7-4-8-15-9-11-16(12-10-15)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
InChIKey
AQLHJNRNLYDLDP-UHFFFAOYSA-N
Compound name
1-(3-chloropropyl)-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

238.12367 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13095 155.2
[M+Na]+ 261.11289 160.7
[M-H]- 237.11639 157.4
[M+NH4]+ 256.15749 170.5
[M+K]+ 277.08683 155.6
[M+H-H2O]+ 221.12093 146.3
[M+HCOO]- 283.12187 168.1
[M+CH3COO]- 297.13752 190.3
[M+Na-2H]- 259.09834 159.4
[M]+ 238.12312 152.8
[M]- 238.12422 152.8
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