CID 117698055

1357351-98-4

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₃

SMILES

CC(C)(C)OC(=O)N1CC2(CC1CO2)CN

InChI

InChI=1S/C11H20N2O3/c1-10(2,3)16-9(14)13-7-11(6-12)4-8(13)5-15-11/h8H,4-7,12H2,1-3H3

InChIKey

NROFQLXUAGEBRC-UHFFFAOYSA-N

Compound name

tert-butyl 1-(aminomethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 228.1474 Da
Monoisotopic Mass: -0.1
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]+	229.154676	153.7
[M+Na]+	251.136618	160.1
[M-H]-	227.140124	155.3
[M+NH4]+	246.181223	175.9
[M+K]+	267.110558	160.4
[M+H-H2O]+	211.144660	149.9
[M+HCOO]-	273.145601	170.7
[M+CH3COO]-	287.161251	189.5
[M+Na-2H]-	249.122066	158.0
[M]+	228.14685142	154.6
[M]-	228.14794858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe