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

28
Patents

140.09496 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 126.2
[M+Na]+ 163.08418 131.3
[M-H]- 139.08768 128.3
[M+NH4]+ 158.12878 139.5
[M+K]+ 179.05812 132.4
[M+H-H2O]+ 123.09222 114.5
[M+HCOO]- 185.09316 143.8
[M+CH3COO]- 199.10881 173.0
[M+Na-2H]- 161.06963 129.5
[M]+ 140.09441 129.3
[M]- 140.09551 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