CID 390735

135733-30-1

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1=CC=C(C=C1)C2=NO[N+](=C2CO)[O-]
InChI
InChI=1S/C9H8N2O3/c12-6-8-9(10-14-11(8)13)7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKey
HSQJNPRERPSLPB-UHFFFAOYSA-N
Compound name
(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

34
Patents

192.0535 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 137.4
[M+Na]+ 215.04272 146.5
[M-H]- 191.04622 140.4
[M+NH4]+ 210.08732 153.0
[M+K]+ 231.01666 139.9
[M+H-H2O]+ 175.05076 134.9
[M+HCOO]- 237.05170 158.8
[M+CH3COO]- 251.06735 168.2
[M+Na-2H]- 213.02817 146.3
[M]+ 192.05295 136.3
[M]- 192.05405 136.4
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

No patent data available for this compound.