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

39
Patents

223.03032 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.03760 146.2
[M+Na]+ 246.01954 157.2
[M-H]- 222.02304 154.1
[M+NH4]+ 241.06414 166.4
[M+K]+ 261.99348 156.5
[M+H-H2O]+ 206.02758 140.7
[M+HCOO]- 268.02852 167.9
[M+CH3COO]- 282.04417 183.0
[M+Na-2H]- 244.00499 147.9
[M]+ 223.02977 153.8
[M]- 223.03087 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

No literature data available for this compound.

Patent stripe

patents stripe