CID 17942984

4-ethyl-1,3-oxazole

Structural Information

Molecular Formula
C5H7NO
SMILES
CCC1=COC=N1
InChI
InChI=1S/C5H7NO/c1-2-5-3-7-4-6-5/h3-4H,2H2,1H3
InChIKey
GQPBBURQQRLAKF-UHFFFAOYSA-N
Compound name
4-ethyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1497
Patents

97.052765 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 114.5
[M+Na]+ 120.04198 123.6
[M-H]- 96.045489 117.7
[M+NH4]+ 115.08659 137.1
[M+K]+ 136.01592 124.5
[M+H-H2O]+ 80.050025 109.1
[M+HCOO]- 142.05097 139.2
[M+CH3COO]- 156.06662 164.0
[M+Na-2H]- 118.02743 123.5
[M]+ 97.052216 116.2
[M]- 97.053314 116.2
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

patents stripe