CID 66626875

Ethyl 2-[4-(boc-amino)cyclohexyl]acetate

Structural Information

Molecular Formula

C₁₅H₂₇NO₄

SMILES

CCOC(=O)CC1CCC(CC1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C15H27NO4/c1-5-19-13(17)10-11-6-8-12(9-7-11)16-14(18)20-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,18)

InChIKey

GKBUJPUBSPCDGF-UHFFFAOYSA-N

Compound name

ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 285.194 Da
Monoisotopic Mass: 2.6
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]+	286.201276	169.6
[M+Na]+	308.183218	172.0
[M-H]-	284.186724	171.8
[M+NH4]+	303.227823	185.1
[M+K]+	324.157158	171.8
[M+H-H2O]+	268.191260	163.3
[M+HCOO]-	330.192201	186.6
[M+CH3COO]-	344.207851	202.5
[M+Na-2H]-	306.168666	170.0
[M]+	285.19345142	169.4
[M]-	285.19454858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe