CID 16775276

223786-04-7

Structural Information

Molecular Formula
C10H13N3O
SMILES
C1CN(CC(=O)N1)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H13N3O/c11-8-1-3-9(4-2-8)13-6-5-12-10(14)7-13/h1-4H,5-7,11H2,(H,12,14)
InChIKey
PZAWODZZVTUFBG-UHFFFAOYSA-N
Compound name
4-(4-aminophenyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

191.10587 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.113146 142.7
[M+Na]+ 214.095088 148.9
[M-H]- 190.098594 144.5
[M+NH4]+ 209.139693 158.1
[M+K]+ 230.069028 144.8
[M+H-H2O]+ 174.103130 134.5
[M+HCOO]- 236.104071 160.8
[M+CH3COO]- 250.119721 181.6
[M+Na-2H]- 212.080536 147.4
[M]+ 191.10532142 135.1
[M]- 191.10641858 135.1
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

patents stripe