CID 25137910

(5s)-albaflavenol

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@H]1C[C@@H](C2=C(C([C@H]3CC[C@@]12C3)(C)C)C)O
InChI
InChI=1S/C15H24O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11-12,16H,5-8H2,1-4H3/t9-,11-,12-,15+/m0/s1
InChIKey
ZRRTYQUKAJCICD-AVNXNWIJSA-N
Compound name
(1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

2
Patents

220.18271 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 153.3
[M+Na]+ 243.171928 162.1
[M-H]- 219.175434 156.9
[M+NH4]+ 238.216533 181.7
[M+K]+ 259.145868 157.5
[M+H-H2O]+ 203.179970 150.3
[M+HCOO]- 265.180911 169.9
[M+CH3COO]- 279.196561 166.1
[M+Na-2H]- 241.157376 155.0
[M]+ 220.18216142 152.2
[M]- 220.18325858 152.2
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.