CID 484393

Ztkanlxnpghviz-fuhwjxtlsa-n

Structural Information

Molecular Formula
C18H26O
SMILES
CC1=C(C=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)O
InChI
InChI=1S/C18H26O/c1-12-13-6-9-16-17(2,3)10-5-11-18(16,4)14(13)7-8-15(12)19/h7-8,16,19H,5-6,9-11H2,1-4H3/t16-,18+/m0/s1
InChIKey
ZTKANLXNPGHVIZ-FUHWJXTLSA-N
Compound name
(4bS,8aS)-1,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.19836 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.205636 162.2
[M+Na]+ 281.187578 169.9
[M-H]- 257.191084 166.0
[M+NH4]+ 276.232183 185.2
[M+K]+ 297.161518 165.1
[M+H-H2O]+ 241.195620 156.3
[M+HCOO]- 303.196561 176.1
[M+CH3COO]- 317.212211 173.4
[M+Na-2H]- 279.173026 166.6
[M]+ 258.19781142 158.7
[M]- 258.19890858 158.7
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

No patent data available for this compound.