CID 23444208

38698-16-7

Structural Information

Molecular Formula

C₁₂H₂₃NO₂

SMILES

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

InChI

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

InChIKey

IVWIMGAJPJCWHY-UHFFFAOYSA-N

Compound name

tert-butyl 4-(aminomethyl)cyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
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	152.3
[M+Na]+	236.16210	156.0
[M-H]-	212.16560	154.4
[M+NH4]+	231.20670	170.6
[M+K]+	252.13604	155.0
[M+H-H2O]+	196.17014	146.7
[M+HCOO]-	258.17108	170.0
[M+CH3COO]-	272.18673	189.9
[M+Na-2H]-	234.14755	154.0
[M]+	213.17233	148.5
[M]-	213.17343	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe