CID 23446090

143979-23-1

Structural Information

Molecular Formula

C₉H₁₈N₂O₃

SMILES

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

InChI

InChI=1S/C9H18N2O3/c1-6(7(10)12)5-11-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H2,10,12)(H,11,13)

InChIKey

PFAQHEWBPXANNT-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-amino-2-methyl-3-oxopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 202.13174 Da
Monoisotopic Mass: 0.3
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]+	203.13902	147.5
[M+Na]+	225.12096	152.9
[M+NH4]+	220.16556	152.3
[M+K]+	241.09490	151.4
[M-H]-	201.12446	144.8
[M+Na-2H]-	223.10641	147.8
[M]+	202.13119	146.9
[M]-	202.13229	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe