CID 10241556

153371-25-6

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

CC[C@@H](C=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C9H17NO3/c1-5-7(6-11)10-8(12)13-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,12)/t7-/m0/s1

InChIKey

NBDAUFXJXMBQRC-ZETCQYMHSA-N

Compound name

tert-butyl N-[(2S)-1-oxobutan-2-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 217
Patents: 187.12085 Da
Monoisotopic Mass: 1.4
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]+	188.12813	143.5
[M+Na]+	210.11007	150.9
[M+NH4]+	205.15467	149.1
[M+K]+	226.08401	147.9
[M-H]-	186.11357	141.0
[M+Na-2H]-	208.09552	145.0
[M]+	187.12030	143.4
[M]-	187.12140	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe