CID 53481631

1,5-dihydropyren-1-ol

Structural Information

Molecular Formula
C16H12O
SMILES
C1C=C2C=CC(C3=C2C4=C(C=CC=C41)C=C3)O
InChI
InChI=1S/C16H12O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-3,5-9,14,17H,4H2
InChIKey
CDYIVSAQQUIYKS-UHFFFAOYSA-N
Compound name
1,5-dihydropyren-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

220.08882 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09610 145.7
[M+Na]+ 243.07804 162.6
[M+NH4]+ 238.12264 157.8
[M+K]+ 259.05198 152.8
[M-H]- 219.08154 150.4
[M+Na-2H]- 241.06349 152.7
[M]+ 220.08827 149.8
[M]- 220.08937 149.8
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