CID 23071678

195387-13-4

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(C)(C)OC(=O)NCC(C)(C)C=O

InChI

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

InChIKey

PXYSKRPXLWMCMU-UHFFFAOYSA-N

Compound name

tert-butyl N-(2,2-dimethyl-3-oxopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 146
Patents: 201.13649 Da
Monoisotopic Mass: 1.3
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]+	202.14377	146.7
[M+Na]+	224.12571	152.9
[M-H]-	200.12921	147.1
[M+NH4]+	219.17031	166.1
[M+K]+	240.09965	153.1
[M+H-H2O]+	184.13375	142.4
[M+HCOO]-	246.13469	167.4
[M+CH3COO]-	260.15034	187.7
[M+Na-2H]-	222.11116	152.5
[M]+	201.13594	149.8
[M]-	201.13704	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe