CID 14486926

1-deoxycapsidiol

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1[C@@H](CCC2=CC[C@H](C[C@]12C)C(=C)C)O
InChI
InChI=1S/C15H24O/c1-10(2)12-5-6-13-7-8-14(16)11(3)15(13,4)9-12/h6,11-12,14,16H,1,5,7-9H2,2-4H3/t11-,12-,14-,15-/m1/s1
InChIKey
TWGYXCCDWSORFO-QHSBEEBCSA-N
Compound name
(1S,2R,7R,8aR)-1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

38
Patents

220.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 153.9
[M+Na]+ 243.17193 165.0
[M+NH4]+ 238.21653 164.5
[M+K]+ 259.14587 156.1
[M-H]- 219.17543 156.3
[M+Na-2H]- 241.15738 158.5
[M]+ 220.18216 156.3
[M]- 220.18326 156.3
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