CID 484445

Afbjtxzajvrdhi-azuaardmsa-n

Structural Information

Molecular Formula
C20H28O2
SMILES
CC(C)C1=C(C=CC2=C1CC(=O)[C@@H]3[C@@]2(CCCC3(C)C)C)O
InChI
InChI=1S/C20H28O2/c1-12(2)17-13-11-16(22)18-19(3,4)9-6-10-20(18,5)14(13)7-8-15(17)21/h7-8,12,18,21H,6,9-11H2,1-5H3/t18-,20+/m0/s1
InChIKey
AFBJTXZAJVRDHI-AZUAARDMSA-N
Compound name
(4bS,8aS)-2-hydroxy-4b,8,8-trimethyl-1-propan-2-yl-6,7,8a,10-tetrahydro-5H-phenanthren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.20892 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 171.7
[M+Na]+ 323.19814 179.2
[M-H]- 299.20164 175.4
[M+NH4]+ 318.24274 193.0
[M+K]+ 339.17208 174.7
[M+H-H2O]+ 283.20618 166.0
[M+HCOO]- 345.20712 184.2
[M+CH3COO]- 359.22277 207.7
[M+Na-2H]- 321.18359 173.6
[M]+ 300.20837 169.5
[M]- 300.20947 169.5
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.