CID 614842

10,18-bisnorabieta-8,11,13-triene

Structural Information

Molecular Formula
C18H26
SMILES
CC1CCCC2C1CCC3=C2C=CC(=C3)C(C)C
InChI
InChI=1S/C18H26/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h7,10-13,16,18H,4-6,8-9H2,1-3H3
InChIKey
XWUVCHRGACWHNI-UHFFFAOYSA-N
Compound name
1-methyl-7-propan-2-yl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.20345 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.21073 158.8
[M+Na]+ 265.19267 163.4
[M-H]- 241.19617 162.8
[M+NH4]+ 260.23727 178.5
[M+K]+ 281.16661 159.0
[M+H-H2O]+ 225.20071 152.0
[M+HCOO]- 287.20165 173.0
[M+CH3COO]- 301.21730 169.3
[M+Na-2H]- 263.17812 161.0
[M]+ 242.20290 153.8
[M]- 242.20400 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe