CID 165944008

2703749-36-2

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CC(=O)[C@]12C[C@H]1CN(C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H19NO3/c1-8(14)12-5-9(12)6-13(7-12)10(15)16-11(2,3)4/h9H,5-7H2,1-4H3/t9-,12+/m0/s1

InChIKey

SKLTXEFXYVWWTA-JOYOIKCWSA-N

Compound name

tert-butyl (1R,5R)-1-acetyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 225.13649 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.143766	156.5
[M+Na]+	248.125708	165.6
[M-H]-	224.129214	160.4
[M+NH4]+	243.170313	173.5
[M+K]+	264.099648	163.7
[M+H-H2O]+	208.133750	152.4
[M+HCOO]-	270.134691	173.4
[M+CH3COO]-	284.150341	191.8
[M+Na-2H]-	246.111156	159.7
[M]+	225.13594142	161.4
[M]-	225.13703858	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe