CID 59606190

1-(azetidin-3-yl)pyrrolidin-2-one hydrochloride

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1CC(=O)N(C1)C2CNC2
InChI
InChI=1S/C7H12N2O/c10-7-2-1-3-9(7)6-4-8-5-6/h6,8H,1-5H2
InChIKey
FPXLYERRRNIXMW-UHFFFAOYSA-N
Compound name
1-(azetidin-3-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

140.09496 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 126.2
[M+Na]+ 163.084178 131.3
[M-H]- 139.087684 128.3
[M+NH4]+ 158.128783 139.5
[M+K]+ 179.058118 132.4
[M+H-H2O]+ 123.092220 114.5
[M+HCOO]- 185.093161 143.8
[M+CH3COO]- 199.108811 173.0
[M+Na-2H]- 161.069626 129.5
[M]+ 140.09441142 129.3
[M]- 140.09550858 129.3
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