CID 14161653

120225-90-3

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CC(C)(C)OC(=O)C1(CCCC1)N

InChI

InChI=1S/C10H19NO2/c1-9(2,3)13-8(12)10(11)6-4-5-7-10/h4-7,11H2,1-3H3

InChIKey

KTYIEPAXQWLADO-UHFFFAOYSA-N

Compound name

tert-butyl 1-aminocyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 185.14159 Da
Monoisotopic Mass: 1.3
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]+	186.148866	143.8
[M+Na]+	208.130808	149.2
[M-H]-	184.134314	146.5
[M+NH4]+	203.175413	166.8
[M+K]+	224.104748	148.7
[M+H-H2O]+	168.138850	139.7
[M+HCOO]-	230.139791	164.3
[M+CH3COO]-	244.155441	181.8
[M+Na-2H]-	206.116256	147.4
[M]+	185.14104142	141.3
[M]-	185.14213858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe