CID 11480507

Tert-butyl aziridine-2-carboxylate

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC(C)(C)OC(=O)C1CN1
InChI
InChI=1S/C7H13NO2/c1-7(2,3)10-6(9)5-4-8-5/h5,8H,4H2,1-3H3
InChIKey
MPJDBUSCAUGUHB-UHFFFAOYSA-N
Compound name
tert-butyl aziridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

143.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 134.3
[M+Na]+ 166.083858 143.3
[M-H]- 142.087364 136.5
[M+NH4]+ 161.128463 149.4
[M+K]+ 182.057798 141.3
[M+H-H2O]+ 126.091900 128.7
[M+HCOO]- 188.092841 153.7
[M+CH3COO]- 202.108491 175.1
[M+Na-2H]- 164.069306 140.2
[M]+ 143.09409142 136.7
[M]- 143.09518858 136.7
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