CID 11849170

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetonitrile

Structural Information

Molecular Formula
C12H10N2O
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)CC#N
InChI
InChI=1S/C12H10N2O/c1-9-11(7-8-13)14-12(15-9)10-5-3-2-4-6-10/h2-6H,7H2,1H3
InChIKey
ONGPDHWUKNYNRF-UHFFFAOYSA-N
Compound name
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

198.07932 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08660 141.8
[M+Na]+ 221.06854 153.3
[M-H]- 197.07204 146.6
[M+NH4]+ 216.11314 158.3
[M+K]+ 237.04248 149.5
[M+H-H2O]+ 181.07658 127.7
[M+HCOO]- 243.07752 161.8
[M+CH3COO]- 257.09317 154.2
[M+Na-2H]- 219.05399 147.2
[M]+ 198.07877 138.7
[M]- 198.07987 138.7
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