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 131.7
[M+Na]+ 198.05254 143.7
[M-H]- 174.05604 136.6
[M+NH4]+ 193.09714 152.8
[M+K]+ 214.02648 141.4
[M+H-H2O]+ 158.06058 125.9
[M+HCOO]- 220.06152 156.7
[M+CH3COO]- 234.07717 178.8
[M+Na-2H]- 196.03799 140.4
[M]+ 175.06277 136.3
[M]- 175.06387 136.3
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.