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]+ 239.200556 163.1
[M+Na]+ 261.182498 166.8
[M-H]- 237.186004 159.5
[M+NH4]+ 256.227103 179.6
[M+K]+ 277.156438 162.9
[M+H-H2O]+ 221.190540 158.5
[M+HCOO]- 283.191481 178.5
[M+CH3COO]- 297.207131 190.9
[M+Na-2H]- 259.167946 162.7
[M]+ 238.19273142 162.8
[M]- 238.19382858 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.