CID 736269

92394-00-8

Structural Information

Molecular Formula
C12H17N3O
SMILES
CC(=O)N1CCN(CC1)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H17N3O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9,13H2,1H3
InChIKey
AFVUJJNEILZYJQ-UHFFFAOYSA-N
Compound name
1-[4-(4-aminophenyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

542
Patents

219.13716 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 151.6
[M+Na]+ 242.12638 157.1
[M-H]- 218.12988 154.5
[M+NH4]+ 237.17098 166.5
[M+K]+ 258.10032 153.9
[M+H-H2O]+ 202.13442 142.8
[M+HCOO]- 264.13536 169.5
[M+CH3COO]- 278.15101 190.3
[M+Na-2H]- 240.11183 154.5
[M]+ 219.13661 145.8
[M]- 219.13771 145.8
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