CID 14633005

(3s,4s,6r,7s)-1,10-bisaboladiene-3,4-diol

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(CCC=C(C)C)C1CC(C(C=C1)(C)O)O
InChI
InChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)13-8-9-15(4,17)14(16)10-13/h6,8-9,12-14,16-17H,5,7,10H2,1-4H3
InChIKey
YRFJMOGROZTYPC-UHFFFAOYSA-N
Compound name
2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 159.4
[M+Na]+ 261.182498 164.1
[M-H]- 237.186004 159.7
[M+NH4]+ 256.227103 178.1
[M+K]+ 277.156438 161.1
[M+H-H2O]+ 221.190540 155.0
[M+HCOO]- 283.191481 174.7
[M+CH3COO]- 297.207131 191.1
[M+Na-2H]- 259.167946 158.9
[M]+ 238.19273142 156.8
[M]- 238.19382858 156.8
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

No patent data available for this compound.