CID 84075622

2361634-21-9

Structural Information

Molecular Formula
C9H14N2O3
SMILES
COC(=O)C1CC(=O)N(C1)C2CNC2
InChI
InChI=1S/C9H14N2O3/c1-14-9(13)6-2-8(12)11(5-6)7-3-10-4-7/h6-7,10H,2-5H2,1H3
InChIKey
YJLDVCLFARYUGI-UHFFFAOYSA-N
Compound name
methyl 1-(azetidin-3-yl)-5-oxopyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.10045 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.107726 141.2
[M+Na]+ 221.089668 145.9
[M-H]- 197.093174 143.4
[M+NH4]+ 216.134273 152.2
[M+K]+ 237.063608 147.5
[M+H-H2O]+ 181.097710 129.2
[M+HCOO]- 243.098651 157.7
[M+CH3COO]- 257.114301 183.4
[M+Na-2H]- 219.075116 141.5
[M]+ 198.09990142 146.8
[M]- 198.10099858 146.8
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

No patent data available for this compound.