CID 118028

2-imino-4-methyl-5-phenyloxazoline

Structural Information

Molecular Formula
C10H10N2O
SMILES
CC1=NC(=N)OC1C2=CC=CC=C2
InChI
InChI=1S/C10H10N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-6,9,11H,1H3
InChIKey
OCFLAGLBZNPYNT-UHFFFAOYSA-N
Compound name
4-methyl-5-phenyl-5H-1,3-oxazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.07932 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 136.4
[M+Na]+ 197.06854 149.4
[M+NH4]+ 192.11314 145.1
[M+K]+ 213.04248 144.9
[M-H]- 173.07204 141.5
[M+Na-2H]- 195.05399 144.1
[M]+ 174.07877 139.6
[M]- 174.07987 139.6
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.