CID 168265121

15-hydroxynerolidol

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(=CCC/C(=C/CC[C@@](CO)(C=C)O)/C)C
InChI
InChI=1S/C15H26O2/c1-5-15(17,12-16)11-7-10-14(4)9-6-8-13(2)3/h5,8,10,16-17H,1,6-7,9,11-12H2,2-4H3/b14-10+/t15-/m1/s1
InChIKey
PFTKAZCGKFAICD-YVGNARHYSA-N
Compound name
(2S,5E)-2-ethenyl-6,10-dimethylundeca-5,9-diene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.19328 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 163.1
[M+Na]+ 261.18250 166.8
[M-H]- 237.18600 159.5
[M+NH4]+ 256.22710 179.6
[M+K]+ 277.15644 162.9
[M+H-H2O]+ 221.19054 158.5
[M+HCOO]- 283.19148 178.5
[M+CH3COO]- 297.20713 190.9
[M+Na-2H]- 259.16795 162.7
[M]+ 238.19273 162.8
[M]- 238.19383 162.8
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.