CID 448669

Naphthalene-1,2,4,5,7-pentol

Structural Information

Molecular Formula
C10H8O5
SMILES
C1=C(C=C(C2=C1C(=C(C=C2O)O)O)O)O
InChI
InChI=1S/C10H8O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-15H
InChIKey
IISYZEMBGRNYTH-UHFFFAOYSA-N
Compound name
naphthalene-1,2,4,5,7-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

208.03717 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.044446 139.4
[M+Na]+ 231.026388 149.8
[M-H]- 207.029894 138.9
[M+NH4]+ 226.070993 156.8
[M+K]+ 247.000328 145.7
[M+H-H2O]+ 191.034430 135.0
[M+HCOO]- 253.035371 156.8
[M+CH3COO]- 267.051021 176.6
[M+Na-2H]- 229.011836 144.6
[M]+ 208.03662142 138.6
[M]- 208.03771858 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe