CID 21991116

161157-50-2

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CCC2C(C1)O2

InChI

InChI=1S/C10H17NO3/c1-10(2,3)14-9(12)11-5-4-7-8(6-11)13-7/h7-8H,4-6H2,1-3H3

InChIKey

MMPWHAJQEZIIEH-UHFFFAOYSA-N

Compound name

tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 724
Patents: 199.12085 Da
Monoisotopic Mass: 1.0
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]+	200.12813	149.8
[M+Na]+	222.11007	158.3
[M-H]-	198.11357	154.1
[M+NH4]+	217.15467	163.1
[M+K]+	238.08401	157.8
[M+H-H2O]+	182.11811	143.4
[M+HCOO]-	244.11905	165.7
[M+CH3COO]-	258.13470	186.9
[M+Na-2H]-	220.09552	155.9
[M]+	199.12030	153.4
[M]-	199.12140	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe