CID 9543292

1-hydroxy-6-methoxypyrene

Structural Information

Molecular Formula
C17H12O2
SMILES
COC1=C2C=CC3=C4C2=C(C=CC4=C(C=C3)O)C=C1
InChI
InChI=1S/C17H12O2/c1-19-15-9-5-11-2-6-12-14(18)8-4-10-3-7-13(15)17(11)16(10)12/h2-9,18H,1H3
InChIKey
BVDKRJLKWHAGMW-UHFFFAOYSA-N
Compound name
6-methoxypyren-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

248.08372 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09100 153.7
[M+Na]+ 271.07294 164.5
[M-H]- 247.07644 158.4
[M+NH4]+ 266.11754 174.3
[M+K]+ 287.04688 159.2
[M+H-H2O]+ 231.08098 146.5
[M+HCOO]- 293.08192 173.7
[M+CH3COO]- 307.09757 166.8
[M+Na-2H]- 269.05839 164.3
[M]+ 248.08317 158.7
[M]- 248.08427 158.7
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