CID 135306640

1821397-76-5

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CC=O)C(=O)OC
InChI
InChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-7-12(8-13,5-6-14)9(15)17-4/h6H,5,7-8H2,1-4H3
InChIKey
YAHFAJCISVLFKF-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-methyl 3-(2-oxoethyl)azetidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

257.1263 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 158.8
[M+Na]+ 280.11552 163.8
[M-H]- 256.11902 160.8
[M+NH4]+ 275.16012 170.0
[M+K]+ 296.08946 167.5
[M+H-H2O]+ 240.12356 149.1
[M+HCOO]- 302.12450 175.7
[M+CH3COO]- 316.14015 196.3
[M+Na-2H]- 278.10097 161.6
[M]+ 257.12575 172.1
[M]- 257.12685 172.1
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

patents stripe