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]+ 167.027356 129.3
[M+Na]+ 189.009298 141.0
[M-H]- 165.012804 136.9
[M+NH4]+ 184.053903 151.4
[M+K]+ 204.983238 139.4
[M+H-H2O]+ 149.017340 123.8
[M+HCOO]- 211.018281 152.7
[M+CH3COO]- 225.033931 145.1
[M+Na-2H]- 186.994746 133.1
[M]+ 166.01953142 132.8
[M]- 166.02062858 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.