CID 18698345

Tert-butyl 4-aminocyclohexane-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₁NO₂

SMILES

CC(C)(C)OC(=O)C1CCC(CC1)N

InChI

InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h8-9H,4-7,12H2,1-3H3

InChIKey

XDTZRQLZSNTGSM-UHFFFAOYSA-N

Compound name

tert-butyl 4-aminocyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 199.15723 Da
Monoisotopic Mass: 1.4
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]+	200.16451	147.7
[M+Na]+	222.14645	151.8
[M-H]-	198.14995	150.0
[M+NH4]+	217.19105	166.5
[M+K]+	238.12039	151.1
[M+H-H2O]+	182.15449	142.3
[M+HCOO]-	244.15543	165.7
[M+CH3COO]-	258.17108	186.8
[M+Na-2H]-	220.13190	150.0
[M]+	199.15668	143.6
[M]-	199.15778	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe