CID 15078448

120984-59-0

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

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

InChI

InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11(4)7-5-6-8-12/h8H,5-7H2,1-4H3

InChIKey

VSKKUZCPADUNJU-UHFFFAOYSA-N

Compound name

tert-butyl N-methyl-N-(4-oxobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 201.13649 Da
Monoisotopic Mass: 0.9
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	147.1
[M+Na]+	224.125708	153.0
[M-H]-	200.129214	148.7
[M+NH4]+	219.170313	167.0
[M+K]+	240.099648	154.2
[M+H-H2O]+	184.133750	141.9
[M+HCOO]-	246.134691	169.8
[M+CH3COO]-	260.150341	190.8
[M+Na-2H]-	222.111156	151.2
[M]+	201.13594142	152.0
[M]-	201.13703858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe