CID 59606145

4-(azetidin-3-yl)piperazin-2-one dihydrochloride

Structural Information

Molecular Formula
C7H13N3O
SMILES
C1CN(CC(=O)N1)C2CNC2
InChI
InChI=1S/C7H13N3O/c11-7-5-10(2-1-9-7)6-3-8-4-6/h6,8H,1-5H2,(H,9,11)
InChIKey
APQXTYBDGHVRLL-UHFFFAOYSA-N
Compound name
4-(azetidin-3-yl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

155.10587 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.113146 134.2
[M+Na]+ 178.095088 138.2
[M-H]- 154.098594 133.0
[M+NH4]+ 173.139693 143.0
[M+K]+ 194.069028 138.4
[M+H-H2O]+ 138.103130 121.1
[M+HCOO]- 200.104071 146.9
[M+CH3COO]- 214.119721 173.7
[M+Na-2H]- 176.080536 138.2
[M]+ 155.10532142 133.9
[M]- 155.10641858 133.9
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