CID 167718636

Rac-tert-butyl n-[(1r,5r,6r)-2-oxo-3-azabicyclo[3.1.0]hexan-6-yl]carbamate

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2[C@H]1C(=O)NC2
InChI
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-7-5-4-11-8(13)6(5)7/h5-7H,4H2,1-3H3,(H,11,13)(H,12,14)/t5-,6+,7+/m0/s1
InChIKey
DKQREYAWCINNQP-RRKCRQDMSA-N
Compound name
tert-butyl N-[(1R,5R,6R)-2-oxo-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.11609 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.123366 149.8
[M+Na]+ 235.105308 159.0
[M-H]- 211.108814 152.6
[M+NH4]+ 230.149913 164.7
[M+K]+ 251.079248 155.0
[M+H-H2O]+ 195.113350 144.9
[M+HCOO]- 257.114291 168.2
[M+CH3COO]- 271.129941 189.1
[M+Na-2H]- 233.090756 153.5
[M]+ 212.11554142 152.2
[M]- 212.11663858 152.2
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.