CID 1382046

3-methyl-4-phenylisoxazol-5-amine

Structural Information

Molecular Formula
C10H10N2O
SMILES
CC1=NOC(=C1C2=CC=CC=C2)N
InChI
InChI=1S/C10H10N2O/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3
InChIKey
ZCTBUBMRXYVEHX-UHFFFAOYSA-N
Compound name
3-methyl-4-phenyl-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

51
Patents

174.07932 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 135.6
[M+Na]+ 197.06854 149.3
[M+NH4]+ 192.11314 144.5
[M+K]+ 213.04248 144.9
[M-H]- 173.07204 141.1
[M+Na-2H]- 195.05399 143.9
[M]+ 174.07877 139.1
[M]- 174.07987 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe