CID 217188

38234-11-6

Structural Information

Molecular Formula
C20H30O2
SMILES
CC(C)C1=CC2=CCC3C(CCCC3(C2CC1)C)C(=O)OC
InChI
InChI=1S/C20H30O2/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/h8,12-13,16-18H,5-7,9-11H2,1-4H3
InChIKey
RJAGUPBSTRDLCG-UHFFFAOYSA-N
Compound name
methyl 4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthrene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.22458 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 175.2
[M+Na]+ 325.21380 178.8
[M-H]- 301.21730 178.7
[M+NH4]+ 320.25840 194.2
[M+K]+ 341.18774 175.4
[M+H-H2O]+ 285.22184 168.4
[M+HCOO]- 347.22278 186.7
[M+CH3COO]- 361.23843 208.6
[M+Na-2H]- 323.19925 175.2
[M]+ 302.22403 171.2
[M]- 302.22513 171.2
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.