CID 11615984

Fema no. 4309

Structural Information

Molecular Formula

C₁₅H₂₇NO₃

SMILES

CCOC(=O)CNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C

InChI

InChI=1S/C15H27NO3/c1-5-19-14(17)9-16-15(18)13-8-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,16,18)/t11-,12+,13-/m1/s1

InChIKey

GWRCTWAPTXBPHW-FRRDWIJNSA-N

Compound name

ethyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 1670
Patents: 269.1991 Da
Monoisotopic Mass: 3.4
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]+	270.206376	167.1
[M+Na]+	292.188318	169.7
[M-H]-	268.191824	169.3
[M+NH4]+	287.232923	183.2
[M+K]+	308.162258	168.9
[M+H-H2O]+	252.196360	160.6
[M+HCOO]-	314.197301	184.3
[M+CH3COO]-	328.212951	203.5
[M+Na-2H]-	290.173766	164.4
[M]+	269.19855142	165.8
[M]-	269.19964858	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.