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]+ 221.18999 153.3
[M+Na]+ 243.17193 162.1
[M-H]- 219.17543 156.9
[M+NH4]+ 238.21653 181.7
[M+K]+ 259.14587 157.5
[M+H-H2O]+ 203.17997 150.3
[M+HCOO]- 265.18091 169.9
[M+CH3COO]- 279.19656 166.1
[M+Na-2H]- 241.15738 155.0
[M]+ 220.18216 152.2
[M]- 220.18326 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.