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]+ 209.07431 142.8
[M+Na]+ 231.05625 153.2
[M-H]- 207.05975 149.8
[M+NH4]+ 226.10085 163.2
[M+K]+ 247.03019 150.9
[M+H-H2O]+ 191.06429 136.7
[M+HCOO]- 253.06523 165.2
[M+CH3COO]- 267.08088 157.3
[M+Na-2H]- 229.04170 145.2
[M]+ 208.06648 147.3
[M]- 208.06758 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.