CID 119026

4h-cyclopenta(def)chrysen-4-ol

Structural Information

Molecular Formula
C19H12O
SMILES
C1=CC=C2C3=C4C(=CC2=C1)C(C5=CC=CC(=C54)C=C3)O
InChI
InChI=1S/C19H12O/c20-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(19)18(14)17(11)15/h1-10,19-20H
InChIKey
GESJVEUWYDSOMJ-UHFFFAOYSA-N
Compound name
pentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),10,12(17),13,15-nonaen-19-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

256.0888 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09608 155.2
[M+Na]+ 279.07802 166.4
[M-H]- 255.08152 161.0
[M+NH4]+ 274.12262 178.1
[M+K]+ 295.05196 159.2
[M+H-H2O]+ 239.08606 148.5
[M+HCOO]- 301.08700 174.8
[M+CH3COO]- 315.10265 168.4
[M+Na-2H]- 277.06347 164.4
[M]+ 256.08825 158.9
[M]- 256.08935 158.9
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.