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
7
Annotation Hits

57
References

15273
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 172.0
[M+Na]+ 289.21380 175.1
[M-H]- 265.21730 170.9
[M+NH4]+ 284.25840 188.8
[M+K]+ 305.18774 173.0
[M+H-H2O]+ 249.22184 166.2
[M+HCOO]- 311.22278 189.5
[M+CH3COO]- 325.23843 202.9
[M+Na-2H]- 287.19925 168.4
[M]+ 266.22403 175.6
[M]- 266.22513 175.6
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