CID 21938422

1401532-57-7

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

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

InChI

InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14(4)10-7-5-9(13)6-8-10/h9-10H,5-8,13H2,1-4H3

InChIKey

IYBJCNYCFNJFKQ-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 204
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	155.6
[M+Na]+	251.17300	158.7
[M-H]-	227.17650	159.1
[M+NH4]+	246.21760	173.6
[M+K]+	267.14694	159.2
[M+H-H2O]+	211.18104	149.5
[M+HCOO]-	273.18198	174.8
[M+CH3COO]-	287.19763	197.7
[M+Na-2H]-	249.15845	157.0
[M]+	228.18323	152.2
[M]-	228.18433	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe