CID 21077911

155089-06-8

Structural Information

Molecular Formula

C₁₂H₂₁NO₅

SMILES

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

InChI

InChI=1S/C12H21NO5/c1-11(2,3)17-9(15)13(7-8-14)10(16)18-12(4,5)6/h8H,7H2,1-6H3

InChIKey

LAQWORBIRNDHQO-UHFFFAOYSA-N

Compound name

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 259.14197 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]+	260.149246	157.8
[M+Na]+	282.131188	163.5
[M-H]-	258.134694	159.5
[M+NH4]+	277.175793	175.5
[M+K]+	298.105128	165.8
[M+H-H2O]+	242.139230	153.1
[M+HCOO]-	304.140171	178.1
[M+CH3COO]-	318.155821	199.3
[M+Na-2H]-	280.116636	161.3
[M]+	259.14142142	164.4
[M]-	259.14251858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe