CID 28409671

4-[4-(aminomethyl)phenyl]piperazin-2-one hydrochloride

Structural Information

Molecular Formula
C11H15N3O
SMILES
C1CN(CC(=O)N1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C11H15N3O/c12-7-9-1-3-10(4-2-9)14-6-5-13-11(15)8-14/h1-4H,5-8,12H2,(H,13,15)
InChIKey
HHTYQKRMCZUXLU-UHFFFAOYSA-N
Compound name
4-[4-(aminomethyl)phenyl]piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

205.1215 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.128776 147.1
[M+Na]+ 228.110718 152.9
[M-H]- 204.114224 148.7
[M+NH4]+ 223.155323 161.9
[M+K]+ 244.084658 148.5
[M+H-H2O]+ 188.118760 138.7
[M+HCOO]- 250.119701 164.8
[M+CH3COO]- 264.135351 184.6
[M+Na-2H]- 226.096166 151.3
[M]+ 205.12095142 139.8
[M]- 205.12204858 139.8
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