CID 467783

12-demethylmulticaulin

Structural Information

Molecular Formula
C19H20O
SMILES
CC1=C(C2=C(C=C1)C3=CC(=C(C=C3C=C2)C(C)C)O)C
InChI
InChI=1S/C19H20O/c1-11(2)17-9-14-6-8-15-13(4)12(3)5-7-16(15)18(14)10-19(17)20/h5-11,20H,1-4H3
InChIKey
ZMSKUQUFEKLXGK-UHFFFAOYSA-N
Compound name
7,8-dimethyl-2-propan-2-ylphenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

264.15143 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15871 161.2
[M+Na]+ 287.14065 171.8
[M-H]- 263.14415 166.4
[M+NH4]+ 282.18525 180.3
[M+K]+ 303.11459 166.3
[M+H-H2O]+ 247.14869 154.7
[M+HCOO]- 309.14963 181.0
[M+CH3COO]- 323.16528 174.0
[M+Na-2H]- 285.12610 166.1
[M]+ 264.15088 164.3
[M]- 264.15198 164.3
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.