CID 137949206

2007473-10-9

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N(C)CC(=O)C1CC1

InChI

InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12(4)7-9(13)8-5-6-8/h8H,5-7H2,1-4H3

InChIKey

FFTUXJUMVZNDIJ-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-cyclopropyl-2-oxoethyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 213.13649 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]+	214.14377	149.0
[M+Na]+	236.12571	156.2
[M-H]-	212.12921	154.8
[M+NH4]+	231.17031	163.5
[M+K]+	252.09965	155.7
[M+H-H2O]+	196.13375	143.2
[M+HCOO]-	258.13469	170.8
[M+CH3COO]-	272.15034	195.9
[M+Na-2H]-	234.11116	152.1
[M]+	213.13594	154.9
[M]-	213.13704	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe