CID 181557

(1r,3s,5s,7r)-2,8-dimethylidene-5-prop-1-en-2-ylcyclodecane-1,3,7-triol

Structural Information

Molecular Formula
C15H24O3
SMILES
CC(=C)[C@H]1C[C@H](C(=C)CC[C@H](C(=C)[C@H](C1)O)O)O
InChI
InChI=1S/C15H24O3/c1-9(2)12-7-14(17)10(3)5-6-13(16)11(4)15(18)8-12/h12-18H,1,3-8H2,2H3/t12-,13+,14+,15-/m0/s1
InChIKey
QVMGKSVFLSTTEO-YJNKXOJESA-N
Compound name
(1R,3S,5S,7R)-2,8-dimethylidene-5-prop-1-en-2-ylcyclodecane-1,3,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

252.17255 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.179826 158.9
[M+Na]+ 275.161768 164.1
[M-H]- 251.165274 155.6
[M+NH4]+ 270.206373 172.1
[M+K]+ 291.135708 160.2
[M+H-H2O]+ 235.169810 157.7
[M+HCOO]- 297.170751 171.0
[M+CH3COO]- 311.186401 187.9
[M+Na-2H]- 273.147216 154.0
[M]+ 252.17200142 148.8
[M]- 252.17309858 148.8
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