CID 15983950

8-hydroxy-(+)-delta-cadinene

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=C2[C@@H](C=C(CC2O)C)[C@@H](CC1)C(C)C
InChI
InChI=1S/C15H24O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7,9,12-14,16H,5-6,8H2,1-4H3/t12-,13-,14?/m0/s1
InChIKey
NOCUZOKOOMNRCW-RFHHWMCGSA-N
Compound name
(4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1
Patents

220.18271 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 152.4
[M+Na]+ 243.17193 164.6
[M+NH4]+ 238.21653 161.9
[M+K]+ 259.14587 157.6
[M-H]- 219.17543 155.4
[M+Na-2H]- 241.15738 156.3
[M]+ 220.18216 155.0
[M]- 220.18326 155.0
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