CID 11171653

181212-90-8

Structural Information

Molecular Formula
C9H15NO4
SMILES
CC(C)(C)OC(=O)N1CC1C(=O)OC
InChI
InChI=1S/C9H15NO4/c1-9(2,3)14-8(12)10-5-6(10)7(11)13-4/h6H,5H2,1-4H3
InChIKey
OHKDZMSOHBQKDL-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O-methyl aziridine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

201.10011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.107386 147.8
[M+Na]+ 224.089328 157.4
[M-H]- 200.092834 151.5
[M+NH4]+ 219.133933 161.5
[M+K]+ 240.063268 156.2
[M+H-H2O]+ 184.097370 142.0
[M+HCOO]- 246.098311 167.6
[M+CH3COO]- 260.113961 187.1
[M+Na-2H]- 222.074776 151.4
[M]+ 201.09956142 154.6
[M]- 201.10065858 154.6
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