CID 53482071

Lithium(1+) (2r)-1-[(tert-butoxy)carbonyl]aziridine-2-carboxylate

Structural Information

Molecular Formula
C8H13NO4
SMILES
CC(C)(C)OC(=O)N1C[C@H]1C(=O)O
InChI
InChI=1S/C8H13NO4/c1-8(2,3)13-7(12)9-4-5(9)6(10)11/h5H,4H2,1-3H3,(H,10,11)/t5-,9?/m0/s1
InChIKey
IMJKDYRGASHUBX-GXRJOMEUSA-N
Compound name
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.08446 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09174 142.7
[M+Na]+ 210.07368 152.1
[M-H]- 186.07718 145.1
[M+NH4]+ 205.11828 156.1
[M+K]+ 226.04762 150.2
[M+H-H2O]+ 170.08172 137.2
[M+HCOO]- 232.08266 161.3
[M+CH3COO]- 246.09831 182.4
[M+Na-2H]- 208.05913 146.3
[M]+ 187.08391 147.4
[M]- 187.08501 147.4
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.