CID 18976583

Schembl1079623

Structural Information

Molecular Formula

SMILES

CC(C1=NCCO1)O

InChI

InChI=1S/C5H9NO2/c1-4(7)5-6-2-3-8-5/h4,7H,2-3H2,1H3

InChIKey

FEAMJEAIAVEGCC-UHFFFAOYSA-N

Compound name

1-(4,5-dihydro-1,3-oxazol-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 291
Patents: 115.06333 Da
Monoisotopic Mass: -0.5
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]+	116.070606	121.3
[M+Na]+	138.052548	128.5
[M-H]-	114.056054	122.7
[M+NH4]+	133.097153	142.2
[M+K]+	154.026488	129.5
[M+H-H2O]+	98.060590	115.8
[M+HCOO]-	160.061531	142.1
[M+CH3COO]-	174.077181	164.4
[M+Na-2H]-	136.037996	127.4
[M]+	115.06278142	120.4
[M]-	115.06387858	120.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe