CID 363555

Nsc628519

Structural Information

Molecular Formula
C17H15NO5
SMILES
C1C(COC2(O1)C3=CC=CC=C3C4=CC=CC=C24)(CO)[N+](=O)[O-]
InChI
InChI=1S/C17H15NO5/c19-9-16(18(20)21)10-22-17(23-11-16)14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-8,19H,9-11H2
InChIKey
CSGREVUJPNTCHL-UHFFFAOYSA-N
Compound name
(5-nitrospiro[1,3-dioxane-2,9'-fluorene]-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.09503 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10231 167.3
[M+Na]+ 336.08425 174.2
[M-H]- 312.08775 174.7
[M+NH4]+ 331.12885 185.2
[M+K]+ 352.05819 168.3
[M+H-H2O]+ 296.09229 165.0
[M+HCOO]- 358.09323 184.5
[M+CH3COO]- 372.10888 195.2
[M+Na-2H]- 334.06970 178.1
[M]+ 313.09448 166.3
[M]- 313.09558 166.3
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.