CID 87918870

342435-11-4

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

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

InChI

InChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12(6)7-11(4,5)8-13/h8H,7H2,1-6H3

InChIKey

VTSQGUKMJZKNDN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 215.15215 Da
Monoisotopic Mass: 1.5
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]+	216.159426	149.7
[M+Na]+	238.141368	155.8
[M-H]-	214.144874	151.5
[M+NH4]+	233.185973	169.3
[M+K]+	254.115308	157.2
[M+H-H2O]+	198.149410	145.3
[M+HCOO]-	260.150351	170.7
[M+CH3COO]-	274.166001	194.3
[M+Na-2H]-	236.126816	154.5
[M]+	215.15160142	154.6
[M]-	215.15269858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe