CID 61016976

1218397-71-7

Structural Information

Molecular Formula

C₁₂H₂₃NO₂

SMILES

CC(C)(C)OC(=O)C(C1CCCCC1)N

InChI

InChI=1S/C12H23NO2/c1-12(2,3)15-11(14)10(13)9-7-5-4-6-8-9/h9-10H,4-8,13H2,1-3H3

InChIKey

SOPMMEPRLRLVOS-UHFFFAOYSA-N

Compound name

tert-butyl 2-amino-2-cyclohexylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 213.17288 Da
Monoisotopic Mass: 2.6
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]+	214.18016	152.7
[M+Na]+	236.16210	155.2
[M-H]-	212.16560	154.5
[M+NH4]+	231.20670	170.5
[M+K]+	252.13604	154.7
[M+H-H2O]+	196.17014	147.0
[M+HCOO]-	258.17108	169.4
[M+CH3COO]-	272.18673	189.6
[M+Na-2H]-	234.14755	153.8
[M]+	213.17233	147.9
[M]-	213.17343	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe