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]+ 173.09208 138.0
[M+Na]+ 195.07402 143.4
[M-H]- 171.07752 138.9
[M+NH4]+ 190.11862 149.6
[M+K]+ 211.04796 145.7
[M+H-H2O]+ 155.08206 126.4
[M+HCOO]- 217.08300 157.7
[M+CH3COO]- 231.09865 182.6
[M+Na-2H]- 193.05947 140.9
[M]+ 172.08425 145.8
[M]- 172.08535 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.