CID 20754832

1254058-26-8

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

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

InChI

InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-12(4)7-5-9(13)6-8-12/h9H,5-8,13H2,1-4H3,(H,14,15)

InChIKey

NCOAYDYNUYRLJH-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-amino-1-methylcyclohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 228.18378 Da
Monoisotopic Mass: 1.5
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]+	229.19106	154.7
[M+Na]+	251.17300	161.4
[M+NH4]+	246.21760	162.8
[M+K]+	267.14694	155.9
[M-H]-	227.17650	155.6
[M+Na-2H]-	249.15845	158.9
[M]+	228.18323	155.7
[M]-	228.18433	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe