CID 22273553

403793-49-7

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC1=C(C(=NO1)C)NC

InChI

InChI=1S/C6H10N2O/c1-4-6(7-3)5(2)9-8-4/h7H,1-3H3

InChIKey

BXVAAFLEKWPQDJ-UHFFFAOYSA-N

Compound name

N,3,5-trimethyl-1,2-oxazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 126.079315 Da
Monoisotopic Mass: 1.2
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]+	127.08659	123.5
[M+Na]+	149.06853	133.2
[M-H]-	125.07204	127.2
[M+NH4]+	144.11314	145.2
[M+K]+	165.04247	133.4
[M+H-H2O]+	109.07658	117.8
[M+HCOO]-	171.07752	148.8
[M+CH3COO]-	185.09317	174.0
[M+Na-2H]-	147.05398	130.8
[M]+	126.07877	125.5
[M]-	126.07986	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe