CID 92402

82560-06-3

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

CCC(C)(CC)C1=NOC(=C1)N

InChI

InChI=1S/C9H16N2O/c1-4-9(3,5-2)7-6-8(10)12-11-7/h6H,4-5,10H2,1-3H3

InChIKey

DFDAEJDUOXMUQR-UHFFFAOYSA-N

Compound name

3-(3-methylpentan-3-yl)-1,2-oxazol-5-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 10
Patents: 168.12627 Da
Monoisotopic Mass: 2.4
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]+	169.13355	137.6
[M+Na]+	191.11549	147.7
[M+NH4]+	186.16009	145.1
[M+K]+	207.08943	145.1
[M-H]-	167.11899	139.5
[M+Na-2H]-	189.10094	142.0
[M]+	168.12572	139.4
[M]-	168.12682	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe