CID 22718430

388113-93-7

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(C)C(=O)CNC(=O)OC(C)(C)C

InChI

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

InChIKey

DJCKBSARRCKOLD-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-methyl-2-oxobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 201.13649 Da
Monoisotopic Mass: 1.7
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	147.5
[M+Na]+	224.125708	152.8
[M-H]-	200.129214	147.7
[M+NH4]+	219.170313	166.6
[M+K]+	240.099648	153.6
[M+H-H2O]+	184.133750	142.7
[M+HCOO]-	246.134691	167.7
[M+CH3COO]-	260.150341	189.1
[M+Na-2H]-	222.111156	149.8
[M]+	201.13594142	149.8
[M]-	201.13703858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe