CID 2745138

90924-54-2

Structural Information

Molecular Formula
C10H9NO3S
SMILES
CCOC(=O)C1=NOC(=C1)C2=CC=CS2
InChI
InChI=1S/C10H9NO3S/c1-2-13-10(12)7-6-8(14-11-7)9-4-3-5-15-9/h3-6H,2H2,1H3
InChIKey
YPIUQIUZEYMWAX-UHFFFAOYSA-N
Compound name
ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

223.03032 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.037596 146.2
[M+Na]+ 246.019538 157.2
[M-H]- 222.023044 154.1
[M+NH4]+ 241.064143 166.4
[M+K]+ 261.993478 156.5
[M+H-H2O]+ 206.027580 140.7
[M+HCOO]- 268.028521 167.9
[M+CH3COO]- 282.044171 183.0
[M+Na-2H]- 244.004986 147.9
[M]+ 223.02977142 153.8
[M]- 223.03086858 153.8
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