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]+ 138.054956 122.9
[M+Na]+ 160.036898 131.8
[M-H]- 136.040404 126.7
[M+NH4]+ 155.081503 144.9
[M+K]+ 176.010838 131.5
[M+H-H2O]+ 120.044940 117.3
[M+HCOO]- 182.045881 144.4
[M+CH3COO]- 196.061531 170.2
[M+Na-2H]- 158.022346 131.0
[M]+ 137.04713142 122.4
[M]- 137.04822858 122.4
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