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

1
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

patents stripe