CID 62516737

3-(2-fluoro-5-methylphenyl)-4-methyl-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C11H11FN2O
SMILES
CC1=CC(=C(C=C1)F)C2=NOC(=C2C)N
InChI
InChI=1S/C11H11FN2O/c1-6-3-4-9(12)8(5-6)10-7(2)11(13)15-14-10/h3-5H,13H2,1-2H3
InChIKey
KNAHGVURIWXUJW-UHFFFAOYSA-N
Compound name
3-(2-fluoro-5-methylphenyl)-4-methyl-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.08554 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09282 142.7
[M+Na]+ 229.07476 153.6
[M-H]- 205.07826 148.3
[M+NH4]+ 224.11936 161.1
[M+K]+ 245.04870 151.0
[M+H-H2O]+ 189.08280 135.1
[M+HCOO]- 251.08374 166.2
[M+CH3COO]- 265.09939 189.0
[M+Na-2H]- 227.06021 146.5
[M]+ 206.08499 142.9
[M]- 206.08609 142.9
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

No patent data available for this compound.