CID 11788901

181646-38-8

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

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

InChI

InChI=1S/C10H19NO3/c1-9(2,3)14-8(13)11-10(4,5)6-7-12/h7H,6H2,1-5H3,(H,11,13)

InChIKey

VNOWIHHJPAJYHL-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 289
Patents: 201.13649 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]+	202.143766	146.7
[M+Na]+	224.125708	152.9
[M-H]-	200.129214	147.1
[M+NH4]+	219.170313	166.1
[M+K]+	240.099648	153.1
[M+H-H2O]+	184.133750	142.4
[M+HCOO]-	246.134691	167.4
[M+CH3COO]-	260.150341	187.7
[M+Na-2H]-	222.111156	152.5
[M]+	201.13594142	149.8
[M]-	201.13703858	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe