CID 45099303

35261-05-3

Structural Information

Molecular Formula

C₈H₁₁N₃O

SMILES

CC(C)(C)C1=NOC(=C1C#N)N

InChI

InChI=1S/C8H11N3O/c1-8(2,3)6-5(4-9)7(10)12-11-6/h10H2,1-3H3

InChIKey

CLZSVOLRNQDKDP-UHFFFAOYSA-N

Compound name

5-amino-3-tert-butyl-1,2-oxazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.09021 Da
Monoisotopic Mass: 2.0
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]+	166.09749	136.6
[M+Na]+	188.07943	147.1
[M-H]-	164.08293	139.0
[M+NH4]+	183.12403	154.2
[M+K]+	204.05337	146.6
[M+H-H2O]+	148.08747	123.9
[M+HCOO]-	210.08841	155.3
[M+CH3COO]-	224.10406	192.7
[M+Na-2H]-	186.06488	141.9
[M]+	165.08966	132.3
[M]-	165.09076	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe