CID 49838

1,2-dihydro-1,2-dihydroxy-5-methylchrysene

Structural Information

Molecular Formula
C19H16O2
SMILES
CC1=CC2=CC=CC=C2C3=C1C4=C(C=C3)C(C(C=C4)O)O
InChI
InChI=1S/C19H16O2/c1-11-10-12-4-2-3-5-13(12)14-6-7-16-15(18(11)14)8-9-17(20)19(16)21/h2-10,17,19-21H,1H3
InChIKey
ZUQHOPBWKPIZSS-UHFFFAOYSA-N
Compound name
5-methyl-1,2-dihydrochrysene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

276.11502 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.12230 162.0
[M+Na]+ 299.10424 179.8
[M+NH4]+ 294.14884 172.8
[M+K]+ 315.07818 170.1
[M-H]- 275.10774 167.2
[M+Na-2H]- 297.08969 169.4
[M]+ 276.11447 166.4
[M]- 276.11557 166.4
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

No patent data available for this compound.