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

2
Patents

143.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 134.3
[M+Na]+ 166.08386 143.3
[M-H]- 142.08736 136.5
[M+NH4]+ 161.12846 149.4
[M+K]+ 182.05780 141.3
[M+H-H2O]+ 126.09190 128.7
[M+HCOO]- 188.09284 153.7
[M+CH3COO]- 202.10849 175.1
[M+Na-2H]- 164.06931 140.2
[M]+ 143.09409 136.7
[M]- 143.09519 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