CID 16228789

Tert-butyl 6-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC2CC(C1C2)N

InChI

InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-7-4-8(12)9(13)5-7/h7-9H,4-6,12H2,1-3H3

InChIKey

WDLJVXLPYIOWOZ-UHFFFAOYSA-N

Compound name

tert-butyl 6-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 212.15248 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]+	213.159756	152.7
[M+Na]+	235.141698	159.1
[M-H]-	211.145204	153.8
[M+NH4]+	230.186303	175.2
[M+K]+	251.115638	158.0
[M+H-H2O]+	195.149740	148.1
[M+HCOO]-	257.150681	170.4
[M+CH3COO]-	271.166331	189.0
[M+Na-2H]-	233.127146	154.0
[M]+	212.15193142	151.6
[M]-	212.15302858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe