CID 10910051

58885-60-2

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

CC(C)(C)OC(=O)NCCC=O

InChI

InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9-5-4-6-10/h6H,4-5H2,1-3H3,(H,9,11)

InChIKey

MLDSDVASYUUDLT-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-oxopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1351
Patents: 173.1052 Da
Monoisotopic Mass: 0.4
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]+	174.11248	139.0
[M+Na]+	196.09442	147.0
[M+NH4]+	191.13902	145.0
[M+K]+	212.06836	143.4
[M-H]-	172.09792	136.9
[M+Na-2H]-	194.07987	141.2
[M]+	173.10465	139.2
[M]-	173.10575	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe