CID 157010111

( not+/-)-trans-nerolidol

Structural Information

Molecular Formula
C13H22O
SMILES
C/C(=C\CCC(C)(C=C)O)/CCC=C
InChI
InChI=1S/C13H22O/c1-5-7-9-12(3)10-8-11-13(4,14)6-2/h5-6,10,14H,1-2,7-9,11H2,3-4H3/b12-10+
InChIKey
JIFKIUVSUFVKTE-ZRDIBKRKSA-N
Compound name
(6E)-3,7-dimethylundeca-1,6,10-trien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 150.9
[M+Na]+ 217.15629 159.5
[M+NH4]+ 212.20089 157.1
[M+K]+ 233.13023 153.5
[M-H]- 193.15979 148.6
[M+Na-2H]- 215.14174 152.3
[M]+ 194.16652 151.2
[M]- 194.16762 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.