CID 12214113

5-ethyl-1,3-oxazole

Structural Information

Molecular Formula
C5H7NO
SMILES
CCC1=CN=CO1
InChI
InChI=1S/C5H7NO/c1-2-5-3-6-4-7-5/h3-4H,2H2,1H3
InChIKey
YEPOTVONGBQFTP-UHFFFAOYSA-N
Compound name
5-ethyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

485
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

literature stripe

Patent stripe

patents stripe