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

63
Patents

201.10011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 147.8
[M+Na]+ 224.08933 157.4
[M-H]- 200.09283 151.5
[M+NH4]+ 219.13393 161.5
[M+K]+ 240.06327 156.2
[M+H-H2O]+ 184.09737 142.0
[M+HCOO]- 246.09831 167.6
[M+CH3COO]- 260.11396 187.1
[M+Na-2H]- 222.07478 151.4
[M]+ 201.09956 154.6
[M]- 201.10066 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