CID 11018012

Methyl (2s)-4-oxoazetidine-2-carboxylate

Structural Information

Molecular Formula
C5H7NO3
SMILES
COC(=O)[C@@H]1CC(=O)N1
InChI
InChI=1S/C5H7NO3/c1-9-5(8)3-2-4(7)6-3/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey
WAKVYXZJTFOVKC-VKHMYHEASA-N
Compound name
methyl (2S)-4-oxoazetidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

129.04259 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.049866 122.3
[M+Na]+ 152.031808 128.8
[M-H]- 128.035314 123.4
[M+NH4]+ 147.076413 135.9
[M+K]+ 168.005748 131.6
[M+H-H2O]+ 112.039850 111.9
[M+HCOO]- 174.040791 142.0
[M+CH3COO]- 188.056441 171.4
[M+Na-2H]- 150.017256 127.2
[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

literature stripe

Patent stripe

patents stripe