CID 496458

Nsc689618

Structural Information

Molecular Formula
C7H12N2O3
SMILES
CCC1C(C(=O)N1)NC(=O)OC
InChI
InChI=1S/C7H12N2O3/c1-3-4-5(6(10)8-4)9-7(11)12-2/h4-5H,3H2,1-2H3,(H,8,10)(H,9,11)
InChIKey
TWRBMGLPGOSZEA-UHFFFAOYSA-N
Compound name
methyl N-(2-ethyl-4-oxoazetidin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0848 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.092076 138.0
[M+Na]+ 195.074018 143.4
[M-H]- 171.077524 138.9
[M+NH4]+ 190.118623 149.6
[M+K]+ 211.047958 145.7
[M+H-H2O]+ 155.082060 126.4
[M+HCOO]- 217.083001 157.7
[M+CH3COO]- 231.098651 182.6
[M+Na-2H]- 193.059466 140.9
[M]+ 172.08425142 145.8
[M]- 172.08534858 145.8
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.