CID 13496996

Ethyl 5-cyclopropyloxazole-4-carboxylate

Structural Information

Molecular Formula
C9H11NO3
SMILES
CCOC(=O)C1=C(OC=N1)C2CC2
InChI
InChI=1S/C9H11NO3/c1-2-12-9(11)7-8(6-3-4-6)13-5-10-7/h5-6H,2-4H2,1H3
InChIKey
FFBACWXOVOFWQR-UHFFFAOYSA-N
Compound name
ethyl 5-cyclopropyl-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

181.0739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 139.0
[M+Na]+ 204.06312 149.2
[M-H]- 180.06662 146.2
[M+NH4]+ 199.10772 153.4
[M+K]+ 220.03706 148.1
[M+H-H2O]+ 164.07116 132.1
[M+HCOO]- 226.07210 162.0
[M+CH3COO]- 240.08775 182.4
[M+Na-2H]- 202.04857 144.0
[M]+ 181.07335 145.0
[M]- 181.07445 145.0
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