CID 72212519

1196151-20-8

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1CC2=C(CC1=O)C=NO2
InChI
InChI=1S/C7H7NO2/c9-6-1-2-7-5(3-6)4-8-10-7/h4H,1-3H2
InChIKey
MORWAKUSTQFOBI-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-1,2-benzoxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.04768 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 124.5
[M+Na]+ 160.03690 136.7
[M+NH4]+ 155.08150 133.7
[M+K]+ 176.01084 132.9
[M-H]- 136.04040 127.1
[M+Na-2H]- 158.02235 129.4
[M]+ 137.04713 126.8
[M]- 137.04823 126.8
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.