CID 389296

5-amino-2-benzyl-1,3-oxazole-4-carbonitrile

Structural Information

Molecular Formula
C11H9N3O
SMILES
C1=CC=C(C=C1)CC2=NC(=C(O2)N)C#N
InChI
InChI=1S/C11H9N3O/c12-7-9-11(13)15-10(14-9)6-8-4-2-1-3-5-8/h1-5H,6,13H2
InChIKey
DCUCOAMWPAFMQZ-UHFFFAOYSA-N
Compound name
5-amino-2-benzyl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.07455 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08183 146.3
[M+Na]+ 222.06377 158.7
[M+NH4]+ 217.10837 151.0
[M+K]+ 238.03771 151.0
[M-H]- 198.06727 143.5
[M+Na-2H]- 220.04922 150.9
[M]+ 199.07400 146.4
[M]- 199.07510 146.4
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

No patent data available for this compound.