CID 5057246

87694-50-6

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₄

SMILES

CC(C)CC(C(=O)N(C)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C13H26N2O4/c1-9(2)8-10(11(16)15(6)18-7)14-12(17)19-13(3,4)5/h9-10H,8H2,1-7H3,(H,14,17)

InChIKey

IKRXSZUARJIXLZ-UHFFFAOYSA-N

Compound name

tert-butyl N-[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-2-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 216
Patents: 274.18927 Da
Monoisotopic Mass: 2.2
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]+	275.19655	166.3
[M+Na]+	297.17849	170.7
[M+NH4]+	292.22309	170.2
[M+K]+	313.15243	170.0
[M-H]-	273.18199	163.3
[M+Na-2H]-	295.16394	165.7
[M]+	274.18872	165.5
[M]-	274.18982	165.5

Literature stripe

literature stripe

Patent stripe

patents stripe