CID 6446517

Silver halide solv hs103

Structural Information

Molecular Formula
C17H25NO
SMILES
CCC1=NC=C(C=C1)OC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C17H25NO/c1-5-16-9-10-17(13-18-16)19-12-11-15(4)8-6-7-14(2)3/h7,9-11,13H,5-6,8,12H2,1-4H3/b15-11+
InChIKey
XRJFANPLZGRFSH-RVDMUPIBSA-N
Compound name
5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-ethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 165.9
[M+Na]+ 282.182818 171.2
[M-H]- 258.186324 167.2
[M+NH4]+ 277.227423 181.7
[M+K]+ 298.156758 167.4
[M+H-H2O]+ 242.190860 158.4
[M+HCOO]- 304.191801 185.2
[M+CH3COO]- 318.207451 199.8
[M+Na-2H]- 280.168266 166.8
[M]+ 259.19305142 168.3
[M]- 259.19414858 168.3
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.