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]+ 261.084546 152.2
[M+Na]+ 283.066488 160.8
[M-H]- 259.069994 151.9
[M+NH4]+ 278.111093 168.3
[M+K]+ 299.040428 157.1
[M+H-H2O]+ 243.074530 143.9
[M+HCOO]- 305.075471 167.8
[M+CH3COO]- 319.091121 189.1
[M+Na-2H]- 281.051936 156.8
[M]+ 260.07672142 145.5
[M]- 260.07781858 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