CID 12519776

Icx5600147

Structural Information

Molecular Formula
C18H18O2
SMILES
C1CC2=C(C=CC(=C2)O)C3C1C4=C(CC3)C=C(C=C4)O
InChI
InChI=1S/C18H18O2/c19-13-3-7-15-11(9-13)1-5-17-16-8-4-14(20)10-12(16)2-6-18(15)17/h3-4,7-10,17-20H,1-2,5-6H2
InChIKey
WKSBLYZBEPGLTB-UHFFFAOYSA-N
Compound name
4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.13068 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 158.1
[M+Na]+ 289.11990 165.2
[M-H]- 265.12340 161.3
[M+NH4]+ 284.16450 176.5
[M+K]+ 305.09384 159.1
[M+H-H2O]+ 249.12794 151.2
[M+HCOO]- 311.12888 171.9
[M+CH3COO]- 325.14453 168.7
[M+Na-2H]- 287.10535 164.2
[M]+ 266.13013 153.7
[M]- 266.13123 153.7
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.