CID 64982684

5-(thiophen-2-yl)-1,2-oxazol-3-amine hydrochloride

Structural Information

Molecular Formula
C7H6N2OS
SMILES
C1=CSC(=C1)C2=CC(=NO2)N
InChI
InChI=1S/C7H6N2OS/c8-7-4-5(10-9-7)6-2-1-3-11-6/h1-4H,(H2,8,9)
InChIKey
QDCMTQQGACQNSF-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.02008 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02736 129.3
[M+Na]+ 189.00930 141.0
[M-H]- 165.01280 136.9
[M+NH4]+ 184.05390 151.4
[M+K]+ 204.98324 139.4
[M+H-H2O]+ 149.01734 123.8
[M+HCOO]- 211.01828 152.7
[M+CH3COO]- 225.03393 145.1
[M+Na-2H]- 186.99475 133.1
[M]+ 166.01953 132.8
[M]- 166.02063 132.8
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

No patent data available for this compound.