CID 137935487

2248266-39-7

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₃

SMILES

CC1C2(CC(C2)(O1)CNC(=O)OC(C)(C)C)N

InChI

InChI=1S/C12H22N2O3/c1-8-12(13)5-11(6-12,16-8)7-14-9(15)17-10(2,3)4/h8H,5-7,13H2,1-4H3,(H,14,15)

InChIKey

URKJXLNLIVVYHO-UHFFFAOYSA-N

Compound name

tert-butyl N-[(4-amino-3-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.16304 Da
Monoisotopic Mass: 0.3
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]+	243.170316	168.1
[M+Na]+	265.152258	172.1
[M-H]-	241.155764	169.0
[M+NH4]+	260.196863	187.9
[M+K]+	281.126198	174.8
[M+H-H2O]+	225.160300	162.2
[M+HCOO]-	287.161241	183.2
[M+CH3COO]-	301.176891	200.5
[M+Na-2H]-	263.137706	175.4
[M]+	242.16249142	181.9
[M]-	242.16358858	181.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.