CID 131307257

Benzyl 2,2-dimethyl-3-oxoazetidine-1-carboxylate

Structural Information

Molecular Formula
C13H15NO3
SMILES
CC1(C(=O)CN1C(=O)OCC2=CC=CC=C2)C
InChI
InChI=1S/C13H15NO3/c1-13(2)11(15)8-14(13)12(16)17-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey
BJLCWTBMPZFGNX-UHFFFAOYSA-N
Compound name
benzyl 2,2-dimethyl-3-oxoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1052 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 150.5
[M+Na]+ 256.09442 157.4
[M-H]- 232.09792 156.0
[M+NH4]+ 251.13902 162.7
[M+K]+ 272.06836 158.7
[M+H-H2O]+ 216.10246 139.0
[M+HCOO]- 278.10340 170.7
[M+CH3COO]- 292.11905 193.0
[M+Na-2H]- 254.07987 154.7
[M]+ 233.10465 161.2
[M]- 233.10575 161.2
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.