CID 62719117

2155855-50-6

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1=C(C=NO1)CCCN

InChI

InChI=1S/C6H10N2O/c7-3-1-2-6-4-8-9-5-6/h4-5H,1-3,7H2

InChIKey

ZEQVTBDBLVDQLG-UHFFFAOYSA-N

Compound name

3-(1,2-oxazol-4-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 126.079315 Da
Monoisotopic Mass: 0.0
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	124.4
[M+Na]+	149.06853	135.1
[M+NH4]+	144.11314	132.6
[M+K]+	165.04247	131.7
[M-H]-	125.07204	126.9
[M+Na-2H]-	147.05398	129.9
[M]+	126.07877	126.4
[M]-	126.07986	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.