CID 14666534

127700-62-3

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)C1CN1C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO4/c1-11(2,3)16-9(14)8-7-13(8)10(15)17-12(4,5)6/h8H,7H2,1-6H3
InChIKey
HADPXKYCDSMWJQ-UHFFFAOYSA-N
Compound name
ditert-butyl aziridine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 159.1
[M+Na]+ 266.136278 167.8
[M-H]- 242.139784 162.6
[M+NH4]+ 261.180883 171.4
[M+K]+ 282.110218 166.5
[M+H-H2O]+ 226.144320 153.6
[M+HCOO]- 288.145261 176.4
[M+CH3COO]- 302.160911 195.5
[M+Na-2H]- 264.121726 162.4
[M]+ 243.14651142 166.5
[M]- 243.14760858 166.5
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.