CID 25999

N-allylbenzoxazolone

Structural Information

Molecular Formula
C10H9NO2
SMILES
C=CCN1C2=CC=CC=C2OC1=O
InChI
InChI=1S/C10H9NO2/c1-2-7-11-8-5-3-4-6-9(8)13-10(11)12/h2-6H,1,7H2
InChIKey
JOYZQLOOESWHTK-UHFFFAOYSA-N
Compound name
3-prop-2-enyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

175.06332 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 132.9
[M+Na]+ 198.05254 147.6
[M+NH4]+ 193.09714 141.4
[M+K]+ 214.02648 142.7
[M-H]- 174.05604 135.8
[M+Na-2H]- 196.03799 139.4
[M]+ 175.06277 135.8
[M]- 175.06387 135.8
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.