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

4013
Patents

218.07317 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08045 144.9
[M+Na]+ 241.06239 155.4
[M-H]- 217.06589 149.5
[M+NH4]+ 236.10699 166.6
[M+K]+ 257.03633 149.6
[M+H-H2O]+ 201.07043 138.1
[M+HCOO]- 263.07137 165.2
[M+CH3COO]- 277.08702 158.3
[M+Na-2H]- 239.04784 156.8
[M]+ 218.07262 147.8
[M]- 218.07372 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.