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]+ 194.027016 137.0
[M+Na]+ 216.008958 149.8
[M-H]- 192.012464 145.2
[M+NH4]+ 211.053563 158.8
[M+K]+ 231.982898 148.2
[M+H-H2O]+ 176.017000 131.9
[M+HCOO]- 238.017941 159.7
[M+CH3COO]- 252.033591 153.0
[M+Na-2H]- 213.994406 139.5
[M]+ 193.01919142 143.9
[M]- 193.02028858 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