CID 91748889

(e)-lyratyl propanoate

Structural Information

Molecular Formula
C13H20O2
SMILES
CCC(=O)OC/C(=C/C(C=C)C(=C)C)/C
InChI
InChI=1S/C13H20O2/c1-6-12(10(3)4)8-11(5)9-15-13(14)7-2/h6,8,12H,1,3,7,9H2,2,4-5H3/b11-8+
InChIKey
UYACSVLHQPEITQ-DHZHZOJOSA-N
Compound name
[(2E)-4-ethenyl-2,5-dimethylhexa-2,5-dienyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 152.7
[M+Na]+ 231.13555 160.8
[M+NH4]+ 226.18015 158.3
[M+K]+ 247.10949 156.2
[M-H]- 207.13905 150.3
[M+Na-2H]- 229.12100 153.2
[M]+ 208.14578 152.7
[M]- 208.14688 152.7
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.