CID 28603408

3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C8H8N2OS
SMILES
CC1=C(SC=C1)C2=NOC(=C2)N
InChI
InChI=1S/C8H8N2OS/c1-5-2-3-12-8(5)6-4-7(9)11-10-6/h2-4H,9H2,1H3
InChIKey
VJLJWUAQRRCZHY-UHFFFAOYSA-N
Compound name
3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.03574 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 134.0
[M+Na]+ 203.02496 146.1
[M-H]- 179.02846 141.8
[M+NH4]+ 198.06956 155.9
[M+K]+ 218.99890 144.2
[M+H-H2O]+ 163.03300 128.6
[M+HCOO]- 225.03394 157.0
[M+CH3COO]- 239.04959 149.7
[M+Na-2H]- 201.01041 136.7
[M]+ 180.03519 138.2
[M]- 180.03629 138.2
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

No patent data available for this compound.