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]+ 260.20088 165.9
[M+Na]+ 282.18282 171.2
[M-H]- 258.18632 167.2
[M+NH4]+ 277.22742 181.7
[M+K]+ 298.15676 167.4
[M+H-H2O]+ 242.19086 158.4
[M+HCOO]- 304.19180 185.2
[M+CH3COO]- 318.20745 199.8
[M+Na-2H]- 280.16827 166.8
[M]+ 259.19305 168.3
[M]- 259.19415 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.