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]+ 235.124116 151.2
[M+Na]+ 257.106058 159.3
[M-H]- 233.109564 156.1
[M+NH4]+ 252.150663 168.1
[M+K]+ 273.079998 156.6
[M+H-H2O]+ 217.114100 142.5
[M+HCOO]- 279.115041 174.7
[M+CH3COO]- 293.130691 193.3
[M+Na-2H]- 255.091506 156.4
[M]+ 234.11629142 152.3
[M]- 234.11738858 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.