CID 484447

Svabnmwrhdkikg-hxuwfjfhsa-n

Structural Information

Molecular Formula
C20H26O2
SMILES
CC(C)C1=C(C=CC2=C1C(=O)C=C3[C@@]2(CCCC3(C)C)C)O
InChI
InChI=1S/C20H26O2/c1-12(2)17-14(21)8-7-13-18(17)15(22)11-16-19(3,4)9-6-10-20(13,16)5/h7-8,11-12,21H,6,9-10H2,1-5H3/t20-/m1/s1
InChIKey
SVABNMWRHDKIKG-HXUWFJFHSA-N
Compound name
(4aS)-7-hydroxy-1,1,4a-trimethyl-8-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.19327 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.20055 170.5
[M+Na]+ 321.18249 179.0
[M-H]- 297.18599 174.6
[M+NH4]+ 316.22709 191.9
[M+K]+ 337.15643 174.3
[M+H-H2O]+ 281.19053 164.6
[M+HCOO]- 343.19147 184.4
[M+CH3COO]- 357.20712 207.3
[M+Na-2H]- 319.16794 173.3
[M]+ 298.19272 169.7
[M]- 298.19382 169.7
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.