CID 131752167

2,10-bisaboladiene-1,4-diol

Structural Information

Molecular Formula
C15H26O2
SMILES
CC1=CC(C(CC1O)C(C)CCC=C(C)C)O
InChI
InChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3
InChIKey
FPSDOHYYKFXKFR-UHFFFAOYSA-N
Compound name
2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

238.19328 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 159.9
[M+Na]+ 261.18250 169.3
[M+NH4]+ 256.22710 166.6
[M+K]+ 277.15644 163.9
[M-H]- 237.18600 160.1
[M+Na-2H]- 259.16795 161.6
[M]+ 238.19273 161.0
[M]- 238.19383 161.0
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

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