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

24
Patents

173.04768 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05496 133.0
[M+Na]+ 196.03690 147.1
[M-H]- 172.04040 135.5
[M+NH4]+ 191.08150 151.6
[M+K]+ 212.01084 142.5
[M+H-H2O]+ 156.04494 120.7
[M+HCOO]- 218.04588 151.7
[M+CH3COO]- 232.06153 146.4
[M+Na-2H]- 194.02235 140.2
[M]+ 173.04713 131.6
[M]- 173.04823 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