CID 29584

19420-41-8

Structural Information

Molecular Formula
C10H7NO2
SMILES
C#CCN1C2=CC=CC=C2OC1=O
InChI
InChI=1S/C10H7NO2/c1-2-7-11-8-5-3-4-6-9(8)13-10(11)12/h1,3-6H,7H2
InChIKey
BMKFKTFCOJPUGR-UHFFFAOYSA-N
Compound name
3-prop-2-ynyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

173.04768 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.054956 133.0
[M+Na]+ 196.036898 147.1
[M-H]- 172.040404 135.5
[M+NH4]+ 191.081503 151.6
[M+K]+ 212.010838 142.5
[M+H-H2O]+ 156.044940 120.7
[M+HCOO]- 218.045881 151.7
[M+CH3COO]- 232.061531 146.4
[M+Na-2H]- 194.022346 140.2
[M]+ 173.04713142 131.6
[M]- 173.04822858 131.6
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

patents stripe