CID 23589007

1447607-14-8

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(=O)CCN(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C10H19NO3/c1-8(12)6-7-11(5)9(13)14-10(2,3)4/h6-7H2,1-5H3

InChIKey

XIYYCJHSYGWXMA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 201.13649 Da
Monoisotopic Mass: 0.8
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	146.6
[M+Na]+	224.12571	152.4
[M-H]-	200.12921	148.3
[M+NH4]+	219.17031	166.5
[M+K]+	240.09965	154.1
[M+H-H2O]+	184.13375	141.6
[M+HCOO]-	246.13469	168.4
[M+CH3COO]-	260.15034	191.7
[M+Na-2H]-	222.11116	149.6
[M]+	201.13594	150.9
[M]-	201.13704	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe