CID 6476660

(2e)-2-benzylideneoxazol-5-one

Structural Information

Molecular Formula
C10H7NO2
SMILES
C1=CC=C(C=C1)/C=C/2\N=CC(=O)O2
InChI
InChI=1S/C10H7NO2/c12-10-7-11-9(13-10)6-8-4-2-1-3-5-8/h1-7H/b9-6+
InChIKey
VGNJAJPQOALEIK-RMKNXTFCSA-N
Compound name
(2E)-2-benzylidene-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.04768 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05496 133.0
[M+Na]+ 196.03690 142.0
[M-H]- 172.04040 139.3
[M+NH4]+ 191.08150 152.3
[M+K]+ 212.01084 140.2
[M+H-H2O]+ 156.04494 126.3
[M+HCOO]- 218.04588 156.8
[M+CH3COO]- 232.06153 175.7
[M+Na-2H]- 194.02235 139.8
[M]+ 173.04713 132.9
[M]- 173.04823 132.9
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

No patent data available for this compound.