CID 3049288

2-oxazolemethanamine, 5-(3-chlorophenyl)-n-propyl-, monohydrochloride

Structural Information

Molecular Formula
C13H15ClN2O
SMILES
CCCNCC1=NC=C(O1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H15ClN2O/c1-2-6-15-9-13-16-8-12(17-13)10-4-3-5-11(14)7-10/h3-5,7-8,15H,2,6,9H2,1H3
InChIKey
YTKRKHFNIIOBSE-UHFFFAOYSA-N
Compound name
N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.0873 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09458 156.8
[M+Na]+ 273.07652 165.6
[M-H]- 249.08002 162.8
[M+NH4]+ 268.12112 173.9
[M+K]+ 289.05046 161.4
[M+H-H2O]+ 233.08456 149.4
[M+HCOO]- 295.08550 176.5
[M+CH3COO]- 309.10115 194.4
[M+Na-2H]- 271.06197 161.8
[M]+ 250.08675 160.9
[M]- 250.08785 160.9
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

patents stripe