CID 178244238

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

Structural Information

Molecular Formula
C5H7NO2
SMILES
C=C(C1=NCCO1)O
InChI
InChI=1S/C5H7NO2/c1-4(7)5-6-2-3-8-5/h7H,1-3H2
InChIKey
NWJYRELCYYXANU-UHFFFAOYSA-N
Compound name
1-(4,5-dihydro-1,3-oxazol-2-yl)ethenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.047676 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 120.1
[M+Na]+ 136.036894 127.7
[M-H]- 112.040400 121.6
[M+NH4]+ 131.081499 141.0
[M+K]+ 152.010834 128.0
[M+H-H2O]+ 96.044936 114.7
[M+HCOO]- 158.045877 141.1
[M+CH3COO]- 172.061527 163.5
[M+Na-2H]- 134.022342 126.2
[M]+ 113.04712742 118.5
[M]- 113.04822458 118.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.