CID 10442454

273757-11-2

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

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

InChI

InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10(4)6-5-7-11/h7H,5-6H2,1-4H3

InChIKey

JBAKABOTZNERRZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 248
Patents: 187.12085 Da
Monoisotopic Mass: 0.5
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]+	188.12813	143.0
[M+Na]+	210.11007	151.0
[M+NH4]+	205.15467	149.0
[M+K]+	226.08401	147.7
[M-H]-	186.11357	141.1
[M+Na-2H]-	208.09552	145.2
[M]+	187.12030	143.2
[M]-	187.12140	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe