CID 479932

Deschloroelatol

Structural Information

Molecular Formula
C15H23BrO
SMILES
CC1=CC[C@]2(CC1)C(=C)C[C@@H]([C@@H](C2(C)C)Br)O
InChI
InChI=1S/C15H23BrO/c1-10-5-7-15(8-6-10)11(2)9-12(17)13(16)14(15,3)4/h5,12-13,17H,2,6-9H2,1,3-4H3/t12-,13-,15-/m0/s1
InChIKey
APALGGYWOOAWLG-YDHLFZDLSA-N
Compound name
(3S,4R,6R)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

298.09323 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10051 161.2
[M+Na]+ 321.08245 171.3
[M-H]- 297.08595 167.9
[M+NH4]+ 316.12705 184.2
[M+K]+ 337.05639 159.2
[M+H-H2O]+ 281.09049 162.9
[M+HCOO]- 343.09143 174.8
[M+CH3COO]- 357.10708 199.0
[M+Na-2H]- 319.06790 164.6
[M]+ 298.09268 174.6
[M]- 298.09378 174.6
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