CID 43115683

3-[3-(thiophen-2-yl)propyl]-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C10H12N2OS
SMILES
C1=CSC(=C1)CCCC2=NOC(=C2)N
InChI
InChI=1S/C10H12N2OS/c11-10-7-8(12-13-10)3-1-4-9-5-2-6-14-9/h2,5-7H,1,3-4,11H2
InChIKey
YKPXHDZGGCTGBA-UHFFFAOYSA-N
Compound name
3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.06703 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.074306 142.8
[M+Na]+ 231.056248 153.2
[M-H]- 207.059754 149.8
[M+NH4]+ 226.100853 163.2
[M+K]+ 247.030188 150.9
[M+H-H2O]+ 191.064290 136.7
[M+HCOO]- 253.065231 165.2
[M+CH3COO]- 267.080881 157.3
[M+Na-2H]- 229.041696 145.2
[M]+ 208.06648142 147.3
[M]- 208.06757858 147.3
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.