CID 33718

2-anilino-2-oxazoline

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1COC(=N1)NC2=CC=CC=C2
InChI
InChI=1S/C9H10N2O/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h1-5H,6-7H2,(H,10,11)
InChIKey
CIDMUJMGDBSMQW-UHFFFAOYSA-N
Compound name
N-phenyl-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

75
Patents

162.07932 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 131.2
[M+Na]+ 185.06854 138.2
[M-H]- 161.07204 137.2
[M+NH4]+ 180.11314 150.5
[M+K]+ 201.04248 137.2
[M+H-H2O]+ 145.07658 123.9
[M+HCOO]- 207.07752 155.7
[M+CH3COO]- 221.09317 145.1
[M+Na-2H]- 183.05399 139.7
[M]+ 162.07877 129.7
[M]- 162.07987 129.7
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