CID 122706455

2-hydroxytrichodiene

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CC[C@@](CC1)(C)[C@]2(CC(CC2=C)O)C
InChI
InChI=1S/C15H24O/c1-11-5-7-14(3,8-6-11)15(4)10-13(16)9-12(15)2/h5,13,16H,2,6-10H2,1,3-4H3/t13?,14-,15+/m1/s1
InChIKey
AFQODABBNISGQW-DMJDIKPUSA-N
Compound name
(3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
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 151.5
[M+Na]+ 243.17193 158.3
[M-H]- 219.17543 156.8
[M+NH4]+ 238.21653 175.4
[M+K]+ 259.14587 154.5
[M+H-H2O]+ 203.17997 147.3
[M+HCOO]- 265.18091 169.5
[M+CH3COO]- 279.19656 187.7
[M+Na-2H]- 241.15738 152.7
[M]+ 220.18216 146.7
[M]- 220.18326 146.7
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.