CID 416639

73771-48-9

Structural Information

Molecular Formula

C₅H₉ClN₂O

SMILES

C1COC(=N1)NCCCl

InChI

InChI=1S/C5H9ClN2O/c6-1-2-7-5-8-3-4-9-5/h1-4H2,(H,7,8)

InChIKey

HXGOZIOOTUMZNF-UHFFFAOYSA-N

Compound name

N-(2-chloroethyl)-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 148.04034 Da
Monoisotopic Mass: 0.2
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]+	149.04762	127.2
[M+Na]+	171.02956	138.2
[M+NH4]+	166.07416	135.9
[M+K]+	187.00350	134.2
[M-H]-	147.03306	129.7
[M+Na-2H]-	169.01501	132.6
[M]+	148.03979	129.6
[M]-	148.04089	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.