CID 15199114

171919-76-9

Structural Information

Molecular Formula
C9H15NO3
SMILES
C[C@H]1C(=O)CN1C(=O)OC(C)(C)C
InChI
InChI=1S/C9H15NO3/c1-6-7(11)5-10(6)8(12)13-9(2,3)4/h6H,5H2,1-4H3/t6-/m0/s1
InChIKey
OPQMXTJLDQEDTI-LURJTMIESA-N
Compound name
tert-butyl (2S)-2-methyl-3-oxoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

185.1052 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 139.7
[M+Na]+ 208.09442 146.5
[M-H]- 184.09792 142.4
[M+NH4]+ 203.13902 152.4
[M+K]+ 224.06836 149.6
[M+H-H2O]+ 168.10246 129.6
[M+HCOO]- 230.10340 158.1
[M+CH3COO]- 244.11905 185.8
[M+Na-2H]- 206.07987 143.2
[M]+ 185.10465 150.6
[M]- 185.10575 150.6
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