CID 54595554

1251015-62-9

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC2CCC1C2N

InChI

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

InChIKey

KBFKGKCNVPZMHL-UHFFFAOYSA-N

Compound name

tert-butyl 7-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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]+	213.15976	152.7
[M+Na]+	235.14170	159.1
[M-H]-	211.14520	153.8
[M+NH4]+	230.18630	175.2
[M+K]+	251.11564	158.0
[M+H-H2O]+	195.14974	148.1
[M+HCOO]-	257.15068	170.4
[M+CH3COO]-	271.16633	189.0
[M+Na-2H]-	233.12715	154.0
[M]+	212.15193	151.6
[M]-	212.15303	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe