CID 14117772

Methyl 3-oxoazetidine-1-carboxylate

Structural Information

Molecular Formula
C5H7NO3
SMILES
COC(=O)N1CC(=O)C1
InChI
InChI=1S/C5H7NO3/c1-9-5(8)6-2-4(7)3-6/h2-3H2,1H3
InChIKey
WZIBHEPNXKTQDS-UHFFFAOYSA-N
Compound name
methyl 3-oxoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

129.04259 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.049866 120.5
[M+Na]+ 152.031808 127.6
[M-H]- 128.035314 123.1
[M+NH4]+ 147.076413 134.9
[M+K]+ 168.005748 131.3
[M+H-H2O]+ 112.039850 110.1
[M+HCOO]- 174.040791 141.8
[M+CH3COO]- 188.056441 173.3
[M+Na-2H]- 150.017256 126.1
[M]+ 129.04204142 130.1
[M]- 129.04313858 130.1
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