CID 42608168

8beta-hydroxy-3-longipinen-5-one

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1=CC(=O)C2C3C1[C@]2([C@H](CCC3(C)C)O)C
InChI
InChI=1S/C15H22O2/c1-8-7-9(16)12-13-11(8)15(12,4)10(17)5-6-14(13,2)3/h7,10-13,17H,5-6H2,1-4H3/t10-,11?,12?,13?,15+/m0/s1
InChIKey
OHOHYEGETNXOJK-CEJAEVFISA-N
Compound name
(2R,3S)-3-hydroxy-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undec-10-en-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 167.3
[M+Na]+ 257.15121 174.2
[M-H]- 233.15471 169.9
[M+NH4]+ 252.19581 186.3
[M+K]+ 273.12515 173.6
[M+H-H2O]+ 217.15925 161.8
[M+HCOO]- 279.16019 177.5
[M+CH3COO]- 293.17584 202.5
[M+Na-2H]- 255.13666 172.8
[M]+ 234.16144 175.6
[M]- 234.16254 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.