CID 55285777

2225141-72-8

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

COCC1=NOC(=C1)CN

InChI

InChI=1S/C6H10N2O2/c1-9-4-5-2-6(3-7)10-8-5/h2H,3-4,7H2,1H3

InChIKey

VVPYXTJJNVOTDF-UHFFFAOYSA-N

Compound name

[3-(methoxymethyl)-1,2-oxazol-5-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 142.07423 Da
Monoisotopic Mass: -1.1
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]+	143.081506	126.8
[M+Na]+	165.063448	135.4
[M-H]-	141.066954	129.6
[M+NH4]+	160.108053	147.2
[M+K]+	181.037388	135.8
[M+H-H2O]+	125.071490	120.6
[M+HCOO]-	187.072431	151.7
[M+CH3COO]-	201.088081	174.2
[M+Na-2H]-	163.048896	133.8
[M]+	142.07368142	128.9
[M]-	142.07477858	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe