CID 14457870

3-(tert-butyl)-4-methylisoxazol-5-amine

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CC1=C(ON=C1C(C)(C)C)N

InChI

InChI=1S/C8H14N2O/c1-5-6(8(2,3)4)10-11-7(5)9/h9H2,1-4H3

InChIKey

HJZLQSDADZDFFH-UHFFFAOYSA-N

Compound name

3-tert-butyl-4-methyl-1,2-oxazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 154.11061 Da
Monoisotopic Mass: 2.1
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]+	155.11789	133.5
[M+Na]+	177.09983	142.9
[M-H]-	153.10333	136.9
[M+NH4]+	172.14443	154.1
[M+K]+	193.07377	142.7
[M+H-H2O]+	137.10787	128.3
[M+HCOO]-	199.10881	156.0
[M+CH3COO]-	213.12446	179.1
[M+Na-2H]-	175.08528	139.5
[M]+	154.11006	134.7
[M]-	154.11116	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe