CID 121604836

Tert-butyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC(C)(C)OC(=O)C12CC(C1)(C2)N

InChI

InChI=1S/C10H17NO2/c1-8(2,3)13-7(12)9-4-10(11,5-9)6-9/h4-6,11H2,1-3H3

InChIKey

IYZGTBCLPDXZGM-UHFFFAOYSA-N

Compound name

tert-butyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 183.12593 Da
Monoisotopic Mass: 0.5
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]+	184.133206	168.5
[M+Na]+	206.115148	170.9
[M-H]-	182.118654	171.0
[M+NH4]+	201.159753	173.8
[M+K]+	222.089088	177.1
[M+H-H2O]+	166.123190	155.3
[M+HCOO]-	228.124131	179.4
[M+CH3COO]-	242.139781	211.3
[M+Na-2H]-	204.100596	173.0
[M]+	183.12538142	192.6
[M]-	183.12647858	192.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe