CID 83905007

4-chloro-3-ethyl-2,5-dihydro-1,2-oxazol-5-imine

Structural Information

Molecular Formula
C5H7ClN2O
SMILES
CCC1=NOC(=C1Cl)N
InChI
InChI=1S/C5H7ClN2O/c1-2-3-4(6)5(7)9-8-3/h2,7H2,1H3
InChIKey
NLOOZTNYOGKANM-UHFFFAOYSA-N
Compound name
4-chloro-3-ethyl-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.02469 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.03197 126.8
[M+Na]+ 169.01391 137.5
[M-H]- 145.01741 129.9
[M+NH4]+ 164.05851 148.2
[M+K]+ 184.98785 135.6
[M+H-H2O]+ 129.02195 121.8
[M+HCOO]- 191.02289 147.0
[M+CH3COO]- 205.03854 174.1
[M+Na-2H]- 166.99936 132.9
[M]+ 146.02414 129.2
[M]- 146.02524 129.2
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

No patent data available for this compound.