CID 50986101

Schembl31485703

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1CC(C=C([C@]12CC[C@H](C2)C(=C)C)C)O
InChI
InChI=1S/C15H24O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-14,16H,1,5-6,8-9H2,2-4H3/t12-,13-,14?,15-/m1/s1
InChIKey
QRPWLSKPROEDAH-QKGHYUKFSA-N
Compound name
(3R,5S,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

12
Patents

220.18271 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 153.6
[M+Na]+ 243.171928 159.7
[M-H]- 219.175434 157.7
[M+NH4]+ 238.216533 176.0
[M+K]+ 259.145868 155.9
[M+H-H2O]+ 203.179970 149.1
[M+HCOO]- 265.180911 170.5
[M+CH3COO]- 279.196561 189.1
[M+Na-2H]- 241.157376 152.8
[M]+ 220.18216142 148.5
[M]- 220.18325858 148.5
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