CID 61660338

2193065-76-6

Structural Information

Molecular Formula

C₁₃H₂₅NO₂

SMILES

CC(C)(C)OC(=O)CC1(CCCCC1)CN

InChI

InChI=1S/C13H25NO2/c1-12(2,3)16-11(15)9-13(10-14)7-5-4-6-8-13/h4-10,14H2,1-3H3

InChIKey

WRNVQZGKIYMQMG-UHFFFAOYSA-N

Compound name

tert-butyl 2-[1-(aminomethyl)cyclohexyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 227.18852 Da
Monoisotopic Mass: 2.5
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]+	228.19580	156.2
[M+Na]+	250.17774	163.6
[M+NH4]+	245.22234	164.6
[M+K]+	266.15168	157.1
[M-H]-	226.18124	156.8
[M+Na-2H]-	248.16319	160.6
[M]+	227.18797	157.2
[M]-	227.18907	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe