CID 244030

7127-19-7

Structural Information

Molecular Formula
C9H9NO
SMILES
C1COC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2
InChIKey
ZXTHWIZHGLNEPG-UHFFFAOYSA-N
Compound name
2-phenyl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

4976
Patents

147.06842 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 127.1
[M+Na]+ 170.05764 134.9
[M-H]- 146.06114 133.0
[M+NH4]+ 165.10224 147.2
[M+K]+ 186.03158 134.1
[M+H-H2O]+ 130.06568 120.3
[M+HCOO]- 192.06662 150.5
[M+CH3COO]- 206.08227 141.5
[M+Na-2H]- 168.04309 135.1
[M]+ 147.06787 126.3
[M]- 147.06897 126.3
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