CID 165728660

2803835-28-9

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₄

SMILES

CC(C)(C)OC(=O)N(CC(=O)O)C1CC(C1)C#N

InChI

InChI=1S/C12H18N2O4/c1-12(2,3)18-11(17)14(7-10(15)16)9-4-8(5-9)6-13/h8-9H,4-5,7H2,1-3H3,(H,15,16)

InChIKey

GZWXAPLUFITZCW-UHFFFAOYSA-N

Compound name

2-[(3-cyanocyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.12666 Da
Monoisotopic Mass: 1.0
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]+	255.133936	159.6
[M+Na]+	277.115878	163.5
[M-H]-	253.119384	162.4
[M+NH4]+	272.160483	168.4
[M+K]+	293.089818	168.7
[M+H-H2O]+	237.123920	142.3
[M+HCOO]-	299.124861	174.2
[M+CH3COO]-	313.140511	210.7
[M+Na-2H]-	275.101326	159.6
[M]+	254.12611142	163.6
[M]-	254.12720858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.