CID 155943276

2613385-38-7

Structural Information

Molecular Formula

C₁₂H₂₃NO₂

SMILES

CC1(CCC(CC1)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C12H23NO2/c1-11(2,3)15-10(14)9-5-7-12(4,13)8-6-9/h9H,5-8,13H2,1-4H3

InChIKey

VESCBHIAWUVEFQ-UHFFFAOYSA-N

Compound name

tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 213.17288 Da
Monoisotopic Mass: 1.6
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	151.2
[M+Na]+	236.16210	155.9
[M-H]-	212.16560	153.7
[M+NH4]+	231.20670	171.6
[M+K]+	252.13604	155.2
[M+H-H2O]+	196.17014	146.8
[M+HCOO]-	258.17108	168.9
[M+CH3COO]-	272.18673	189.4
[M+Na-2H]-	234.14755	154.3
[M]+	213.17233	147.8
[M]-	213.17343	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe