CID 71757843

1104194-54-8

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

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

InChI

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

InChIKey

JUJWZUXFWXFHJZ-UHFFFAOYSA-N

Compound name

tert-butyl N-methyl-N-(2-methyl-1-oxopropan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 201.13649 Da
Monoisotopic Mass: 1.2
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	146.8
[M+Na]+	224.12571	154.3
[M+NH4]+	219.17031	152.5
[M+K]+	240.09965	152.1
[M-H]-	200.12921	144.3
[M+Na-2H]-	222.11116	148.8
[M]+	201.13594	146.9
[M]-	201.13704	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe