CID 90880431

3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2,5-dihydro-1,2-oxazol-5-ol

Structural Information

Molecular Formula
C11H11F3N2O2
SMILES
C1=CC(=CC=C1CN)C2=CC(ON2)(C(F)(F)F)O
InChI
InChI=1S/C11H11F3N2O2/c12-11(13,14)10(17)5-9(16-18-10)8-3-1-7(6-15)2-4-8/h1-5,16-17H,6,15H2
InChIKey
CIJOWOJNLFMTAS-UHFFFAOYSA-N
Compound name
3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

260.07727 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08455 152.2
[M+Na]+ 283.06649 160.8
[M-H]- 259.06999 151.9
[M+NH4]+ 278.11109 168.3
[M+K]+ 299.04043 157.1
[M+H-H2O]+ 243.07453 143.9
[M+HCOO]- 305.07547 167.8
[M+CH3COO]- 319.09112 189.1
[M+Na-2H]- 281.05194 156.8
[M]+ 260.07672 145.5
[M]- 260.07782 145.5
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