CID 13717

952-29-4

Structural Information

Molecular Formula
C13H16N2O
SMILES
CN(C)CCC1=CC(=NO1)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2O/c1-15(2)9-8-12-10-13(14-16-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey
LYFKKEXEETUKAD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(3-phenyl-1,2-oxazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

216.12627 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 148.9
[M+Na]+ 239.115488 156.2
[M-H]- 215.118994 156.4
[M+NH4]+ 234.160093 166.9
[M+K]+ 255.089428 155.4
[M+H-H2O]+ 199.123530 140.9
[M+HCOO]- 261.124471 174.0
[M+CH3COO]- 275.140121 193.0
[M+Na-2H]- 237.100936 154.7
[M]+ 216.12572142 151.9
[M]- 216.12681858 151.9
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