CID 146082189

2408936-11-6

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CC(C)(C)OC(=O)N1C[C@H]1C(=O)NC
InChI
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-6(11)7(12)10-4/h6H,5H2,1-4H3,(H,10,12)/t6-,11?/m0/s1
InChIKey
DTUKQBWRSJKETO-OCAOPBLFSA-N
Compound name
tert-butyl (2S)-2-(methylcarbamoyl)aziridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.11609 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.123366 148.1
[M+Na]+ 223.105308 156.8
[M-H]- 199.108814 151.7
[M+NH4]+ 218.149913 161.5
[M+K]+ 239.079248 155.0
[M+H-H2O]+ 183.113350 142.0
[M+HCOO]- 245.114291 168.7
[M+CH3COO]- 259.129941 189.8
[M+Na-2H]- 221.090756 151.9
[M]+ 200.11554142 152.7
[M]- 200.11663858 152.7
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

No patent data available for this compound.