CID 13913

3-(dimethylaminomethyl)-5-phenylisoxazole hydrochloride

Structural Information

Molecular Formula
C12H14N2O
SMILES
CN(C)CC1=NOC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2O/c1-14(2)9-11-8-12(15-13-11)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKey
UWMXSCVXWHUWDH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

202.11061 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 144.5
[M+Na]+ 225.09983 157.8
[M+NH4]+ 220.14443 153.4
[M+K]+ 241.07377 153.1
[M-H]- 201.10333 150.3
[M+Na-2H]- 223.08528 153.2
[M]+ 202.11006 148.1
[M]- 202.11116 148.1
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