CID 6852125

Ala-tboda

Structural Information

Molecular Formula

C₉H₁₅N₃O₂

SMILES

C[C@@H](C(=O)C1=NN=C(O1)C(C)(C)C)N

InChI

InChI=1S/C9H15N3O2/c1-5(10)6(13)7-11-12-8(14-7)9(2,3)4/h5H,10H2,1-4H3/t5-/m0/s1

InChIKey

PVDZDTVFUVTTDU-YFKPBYRVSA-N

Compound name

(2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 197.11642 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]+	198.123696	145.2
[M+Na]+	220.105638	152.9
[M-H]-	196.109144	146.9
[M+NH4]+	215.150243	162.1
[M+K]+	236.079578	153.2
[M+H-H2O]+	180.113680	138.6
[M+HCOO]-	242.114621	164.5
[M+CH3COO]-	256.130271	186.7
[M+Na-2H]-	218.091086	148.9
[M]+	197.11587142	146.4
[M]-	197.11696858	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe