CID 85423826

Tert-butyl n-(1-oxopentan-3-yl)carbamate

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CCC(CC=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C10H19NO3/c1-5-8(6-7-12)11-9(13)14-10(2,3)4/h7-8H,5-6H2,1-4H3,(H,11,13)

InChIKey

VEVHRUHHMAZBRX-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-oxopentan-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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]+	202.143766	147.9
[M+Na]+	224.125708	153.3
[M-H]-	200.129214	148.0
[M+NH4]+	219.170313	167.0
[M+K]+	240.099648	153.6
[M+H-H2O]+	184.133750	142.9
[M+HCOO]-	246.134691	169.1
[M+CH3COO]-	260.150341	188.2
[M+Na-2H]-	222.111156	151.4
[M]+	201.13594142	150.8
[M]-	201.13703858	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe