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]+ 201.12337 148.1
[M+Na]+ 223.10531 156.8
[M-H]- 199.10881 151.7
[M+NH4]+ 218.14991 161.5
[M+K]+ 239.07925 155.0
[M+H-H2O]+ 183.11335 142.0
[M+HCOO]- 245.11429 168.7
[M+CH3COO]- 259.12994 189.8
[M+Na-2H]- 221.09076 151.9
[M]+ 200.11554 152.7
[M]- 200.11664 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.