CID 59626099

178312-01-1

Structural Information

Molecular Formula
C9H17N3O
SMILES
CC(=O)N1CCN(CC1)C2CNC2
InChI
InChI=1S/C9H17N3O/c1-8(13)11-2-4-12(5-3-11)9-6-10-7-9/h9-10H,2-7H2,1H3
InChIKey
IOXGBLHXIBUZFI-UHFFFAOYSA-N
Compound name
1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

183.13716 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.14444 144.1
[M+Na]+ 206.12638 149.3
[M+NH4]+ 201.17098 146.9
[M+K]+ 222.10032 146.5
[M-H]- 182.12988 141.7
[M+Na-2H]- 204.11183 145.5
[M]+ 183.13661 142.6
[M]- 183.13771 142.6
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