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]+ 130.04987 120.5
[M+Na]+ 152.03181 127.6
[M-H]- 128.03531 123.1
[M+NH4]+ 147.07641 134.9
[M+K]+ 168.00575 131.3
[M+H-H2O]+ 112.03985 110.1
[M+HCOO]- 174.04079 141.8
[M+CH3COO]- 188.05644 173.3
[M+Na-2H]- 150.01726 126.1
[M]+ 129.04204 130.1
[M]- 129.04314 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