CID 5284507

Nerolidol

Structural Information

Molecular Formula
C15H26O
SMILES
CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C
InChI
InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+
InChIKey
FQTLCLSUCSAZDY-SDNWHVSQSA-N
Compound name
(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

341
References

23489
Patents

222.19836 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 158.9
[M+Na]+ 245.18758 163.2
[M-H]- 221.19108 156.9
[M+NH4]+ 240.23218 176.9
[M+K]+ 261.16152 159.7
[M+H-H2O]+ 205.19562 154.4
[M+HCOO]- 267.19656 175.7
[M+CH3COO]- 281.21221 191.5
[M+Na-2H]- 243.17303 159.1
[M]+ 222.19781 159.2
[M]- 222.19891 159.2
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.