CID 47003118

{3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl}(methyl)amine

Structural Information

Molecular Formula
C13H15FN2O
SMILES
CNCCCC1=CC(=NO1)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H15FN2O/c1-15-8-2-3-12-9-13(16-17-12)10-4-6-11(14)7-5-10/h4-7,9,15H,2-3,8H2,1H3
InChIKey
NNCHQODVNZTZCU-UHFFFAOYSA-N
Compound name
3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11684 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12412 151.2
[M+Na]+ 257.10606 159.3
[M-H]- 233.10956 156.1
[M+NH4]+ 252.15066 168.1
[M+K]+ 273.08000 156.6
[M+H-H2O]+ 217.11410 142.5
[M+HCOO]- 279.11504 174.7
[M+CH3COO]- 293.13069 193.3
[M+Na-2H]- 255.09151 156.4
[M]+ 234.11629 152.3
[M]- 234.11739 152.3
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.