CID 159823

10-htbp

Structural Information

Molecular Formula
C20H16O
SMILES
C1CC(C2=C(C1)C=C3C=CC4=C5C3=C2C=CC5=CC=C4)O
InChI
InChI=1S/C20H16O/c21-17-6-2-5-14-11-15-8-7-12-3-1-4-13-9-10-16(19(14)17)20(15)18(12)13/h1,3-4,7-11,17,21H,2,5-6H2
InChIKey
VEFFVGHBCVMXOT-UHFFFAOYSA-N
Compound name
7,8,9,10-tetrahydrobenzo[a]pyren-10-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

272.12012 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12740 159.5
[M+Na]+ 295.10934 168.0
[M-H]- 271.11284 163.9
[M+NH4]+ 290.15394 179.4
[M+K]+ 311.08328 161.0
[M+H-H2O]+ 255.11738 151.1
[M+HCOO]- 317.11832 174.8
[M+CH3COO]- 331.13397 170.7
[M+Na-2H]- 293.09479 169.1
[M]+ 272.11957 159.5
[M]- 272.12067 159.5
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