CID 5372477

Hydroprene

Structural Information

Molecular Formula
C17H30O2
SMILES
CCOC(=O)/C=C(\C)/C=C/CC(C)CCCC(C)C
InChI
InChI=1S/C17H30O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h8,12-15H,6-7,9-11H2,1-5H3/b12-8+,16-13+
InChIKey
FYQGBXGJFWXIPP-UEVLXMDPSA-N
Compound name
ethyl (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

57
References

11334
Patents

266.22458 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.23186 171.1
[M+Na]+ 289.21380 178.3
[M+NH4]+ 284.25840 176.2
[M+K]+ 305.18774 172.8
[M-H]- 265.21730 168.7
[M+Na-2H]- 287.19925 170.7
[M]+ 266.22403 171.0
[M]- 266.22513 171.0
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