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]+ 259.20564 162.2
[M+Na]+ 281.18758 169.9
[M-H]- 257.19108 166.0
[M+NH4]+ 276.23218 185.2
[M+K]+ 297.16152 165.1
[M+H-H2O]+ 241.19562 156.3
[M+HCOO]- 303.19656 176.1
[M+CH3COO]- 317.21221 173.4
[M+Na-2H]- 279.17303 166.6
[M]+ 258.19781 158.7
[M]- 258.19891 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.