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 143.7
[M+Na]+ 222.06377 154.4
[M-H]- 198.06727 148.0
[M+NH4]+ 217.10837 159.4
[M+K]+ 238.03771 150.8
[M+H-H2O]+ 182.07181 129.2
[M+HCOO]- 244.07275 164.1
[M+CH3COO]- 258.08840 155.5
[M+Na-2H]- 220.04922 148.7
[M]+ 199.07400 138.6
[M]- 199.07510 138.6
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.