CID 59424688

105983-83-3

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₄

SMILES

CC(C)(C)OC(=O)NCCN(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H26N2O4/c1-12(2,3)18-10(16)14-8-9-15(7)11(17)19-13(4,5)6/h8-9H2,1-7H3,(H,14,16)

InChIKey

LDEPHSIHMSDUAS-UHFFFAOYSA-N

Compound name

tert-butyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 274.18927 Da
Monoisotopic Mass: 1.8
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]+	275.196546	166.4
[M+Na]+	297.178488	170.5
[M-H]-	273.181994	167.8
[M+NH4]+	292.223093	183.2
[M+K]+	313.152428	172.7
[M+H-H2O]+	257.186530	160.9
[M+HCOO]-	319.187471	186.9
[M+CH3COO]-	333.203121	206.2
[M+Na-2H]-	295.163936	169.3
[M]+	274.18872142	171.6
[M]-	274.18981858	171.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe