CID 28063458

5-methyl-2-(thiophen-2-yl)oxazole-4-carbaldehyde

Structural Information

Molecular Formula
C9H7NO2S
SMILES
CC1=C(N=C(O1)C2=CC=CS2)C=O
InChI
InChI=1S/C9H7NO2S/c1-6-7(5-11)10-9(12-6)8-3-2-4-13-8/h2-5H,1H3
InChIKey
ZFDVGEONFFIDAG-UHFFFAOYSA-N
Compound name
5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

193.01974 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02702 137.0
[M+Na]+ 216.00896 149.8
[M-H]- 192.01246 145.2
[M+NH4]+ 211.05356 158.8
[M+K]+ 231.98290 148.2
[M+H-H2O]+ 176.01700 131.9
[M+HCOO]- 238.01794 159.7
[M+CH3COO]- 252.03359 153.0
[M+Na-2H]- 213.99441 139.5
[M]+ 193.01919 143.9
[M]- 193.02029 143.9
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