CID 21387

1-hydroxypyrene

Structural Information

Molecular Formula
C16H10O
SMILES
C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O
InChI
InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H
InChIKey
BIJNHUAPTJVVNQ-UHFFFAOYSA-N
Compound name
pyren-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

901
References

4039
Patents

218.07317 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.080446 144.9
[M+Na]+ 241.062388 155.4
[M-H]- 217.065894 149.5
[M+NH4]+ 236.106993 166.6
[M+K]+ 257.036328 149.6
[M+H-H2O]+ 201.070430 138.1
[M+HCOO]- 263.071371 165.2
[M+CH3COO]- 277.087021 158.3
[M+Na-2H]- 239.047836 156.8
[M]+ 218.07262142 147.8
[M]- 218.07371858 147.8
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