CID 10978415

37935-49-2

Structural Information

Molecular Formula
C17H30O2
SMILES
C/C=C/C=C/CCCCCCCOC1CCCCO1
InChI
InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h2-5,17H,6-16H2,1H3/b3-2+,5-4+
InChIKey
PDBJRNWOKYKKQY-MQQKCMAXSA-N
Compound name
2-[(8E,10E)-dodeca-8,10-dienoxy]oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

266.22458 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.23186 170.3
[M+Na]+ 289.21380 171.9
[M-H]- 265.21730 171.9
[M+NH4]+ 284.25840 185.2
[M+K]+ 305.18774 169.4
[M+H-H2O]+ 249.22184 163.0
[M+HCOO]- 311.22278 187.7
[M+CH3COO]- 325.23843 197.6
[M+Na-2H]- 287.19925 172.1
[M]+ 266.22403 170.7
[M]- 266.22513 170.7
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

patents stripe