CID 16790256

934601-25-9

Structural Information

Molecular Formula
C13H19N3O
SMILES
CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C13H19N3O/c1-11(17)16-8-6-15(7-9-16)10-12-2-4-13(14)5-3-12/h2-5H,6-10,14H2,1H3
InChIKey
KSSBFJYMUTXPHA-UHFFFAOYSA-N
Compound name
1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

233.15282 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.160096 156.0
[M+Na]+ 256.142038 161.1
[M-H]- 232.145544 158.8
[M+NH4]+ 251.186643 170.4
[M+K]+ 272.115978 157.7
[M+H-H2O]+ 216.150080 147.1
[M+HCOO]- 278.151021 173.6
[M+CH3COO]- 292.166671 193.3
[M+Na-2H]- 254.127486 158.4
[M]+ 233.15227142 150.6
[M]- 233.15336858 150.6
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