CID 22147363

31865-25-5

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

C1C2C(O2)CN1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C12H13NO3/c14-12(13-6-10-11(7-13)16-10)15-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2

InChIKey

FZDACFZWWMAUBO-UHFFFAOYSA-N

Compound name

benzyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 436
Patents: 219.08954 Da
Monoisotopic Mass: 1.2
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]+	220.09682	150.5
[M+Na]+	242.07876	163.6
[M+NH4]+	237.12336	159.3
[M+K]+	258.05270	161.0
[M-H]-	218.08226	160.8
[M+Na-2H]-	240.06421	157.8
[M]+	219.08899	156.3
[M]-	219.09009	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe