CID 66412

2-ethyl-2-oxazoline

Structural Information

Molecular Formula
C5H9NO
SMILES
CCC1=NCCO1
InChI
InChI=1S/C5H9NO/c1-2-5-6-3-4-7-5/h2-4H2,1H3
InChIKey
NYEZZYQZRQDLEH-UHFFFAOYSA-N
Compound name
2-ethyl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

61
References

24401
Patents

99.06841 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 116.7
[M+Na]+ 122.05763 124.7
[M-H]- 98.061134 119.5
[M+NH4]+ 117.10223 139.1
[M+K]+ 138.03157 125.9
[M+H-H2O]+ 82.065670 111.2
[M+HCOO]- 144.06661 139.8
[M+CH3COO]- 158.08226 164.3
[M+Na-2H]- 120.04308 124.6
[M]+ 99.067861 116.9
[M]- 99.068959 116.9
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