CID 14578674

109608-77-7

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

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

InChI

InChI=1S/C9H17NO3/c1-8(2,3)13-7(12)10-9(4,5)6-11/h6H,1-5H3,(H,10,12)

InChIKey

JXLSDCIHYQAXOA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 608
Patents: 187.12085 Da
Monoisotopic Mass: 1.0
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	143.1
[M+Na]+	210.11007	150.5
[M+NH4]+	205.15467	148.7
[M+K]+	226.08401	148.0
[M-H]-	186.11357	140.3
[M+Na-2H]-	208.09552	145.0
[M]+	187.12030	143.0
[M]-	187.12140	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe