CID 2517654

3-(2-furyl)-5-isoxazolamine

Structural Information

Molecular Formula

C₇H₆N₂O₂

SMILES

C1=COC(=C1)C2=NOC(=C2)N

InChI

InChI=1S/C7H6N2O2/c8-7-4-5(9-11-7)6-2-1-3-10-6/h1-4H,8H2

InChIKey

MKXZGFIJQYOAAA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 150.04292 Da
Monoisotopic Mass: 0.8
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]+	151.050196	124.4
[M+Na]+	173.032138	135.0
[M-H]-	149.035644	131.9
[M+NH4]+	168.076743	144.8
[M+K]+	189.006078	135.5
[M+H-H2O]+	133.040180	118.6
[M+HCOO]-	195.041121	151.7
[M+CH3COO]-	209.056771	140.5
[M+Na-2H]-	171.017586	132.4
[M]+	150.04237142	127.4
[M]-	150.04346858	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe