CID 4399153

3-(3-methylphenyl)-5-isoxazolamine

Structural Information

Molecular Formula
C10H10N2O
SMILES
CC1=CC(=CC=C1)C2=NOC(=C2)N
InChI
InChI=1S/C10H10N2O/c1-7-3-2-4-8(5-7)9-6-10(11)13-12-9/h2-6H,11H2,1H3
InChIKey
ONTZXIMFRONHNL-UHFFFAOYSA-N
Compound name
3-(3-methylphenyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 135.0
[M+Na]+ 197.06854 144.5
[M-H]- 173.07204 141.5
[M+NH4]+ 192.11314 154.2
[M+K]+ 213.04248 142.6
[M+H-H2O]+ 157.07658 128.1
[M+HCOO]- 219.07752 160.0
[M+CH3COO]- 233.09317 149.5
[M+Na-2H]- 195.05399 141.5
[M]+ 174.07877 135.2
[M]- 174.07987 135.2
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