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 122.9
[M+Na]+ 160.03690 131.8
[M-H]- 136.04040 126.7
[M+NH4]+ 155.08150 144.9
[M+K]+ 176.01084 131.5
[M+H-H2O]+ 120.04494 117.3
[M+HCOO]- 182.04588 144.4
[M+CH3COO]- 196.06153 170.2
[M+Na-2H]- 158.02235 131.0
[M]+ 137.04713 122.4
[M]- 137.04823 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