CID 217192

38234-13-8

Structural Information

Molecular Formula
C20H28O2
SMILES
CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@H]([C@@H]3CC2)C(=O)OC)C
InChI
InChI=1S/C20H28O2/c1-13(2)14-7-9-17-15(12-14)8-10-18-16(19(21)22-4)6-5-11-20(17,18)3/h7,9,12-13,16,18H,5-6,8,10-11H2,1-4H3/t16-,18+,20-/m1/s1
InChIKey
SBNUIZOWGOMXEN-IMFGXOCKSA-N
Compound name
methyl (1R,4aS,10aS)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.20892 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 173.9
[M+Na]+ 323.19814 178.5
[M-H]- 299.20164 177.8
[M+NH4]+ 318.24274 193.1
[M+K]+ 339.17208 175.0
[M+H-H2O]+ 283.20618 167.0
[M+HCOO]- 345.20712 186.9
[M+CH3COO]- 359.22277 208.2
[M+Na-2H]- 321.18359 174.9
[M]+ 300.20837 171.4
[M]- 300.20947 171.4
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.