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

34
Patents

155.10587 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.11315 134.2
[M+Na]+ 178.09509 138.2
[M-H]- 154.09859 133.0
[M+NH4]+ 173.13969 143.0
[M+K]+ 194.06903 138.4
[M+H-H2O]+ 138.10313 121.1
[M+HCOO]- 200.10407 146.9
[M+CH3COO]- 214.11972 173.7
[M+Na-2H]- 176.08054 138.2
[M]+ 155.10532 133.9
[M]- 155.10642 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