CID 611698

Jgszzgmhexrybc-uhfffaoysa-n

Structural Information

Molecular Formula
C18H24O3
SMILES
CC12CCCC(C1CCC3=C2C=CC(=C3)O)(C)C(=O)OC
InChI
InChI=1S/C18H24O3/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-5-12-11-13(19)6-7-14(12)17/h6-7,11,15,19H,4-5,8-10H2,1-3H3
InChIKey
JGSZZGMHEXRYBC-UHFFFAOYSA-N
Compound name
methyl 7-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.17255 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.179826 168.6
[M+Na]+ 311.161768 175.1
[M-H]- 287.165274 171.9
[M+NH4]+ 306.206373 189.7
[M+K]+ 327.135708 171.5
[M+H-H2O]+ 271.169810 162.4
[M+HCOO]- 333.170751 182.0
[M+CH3COO]- 347.186401 200.7
[M+Na-2H]- 309.147216 172.8
[M]+ 288.17200142 166.3
[M]- 288.17309858 166.3
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.