CID 6261926

(e)-2-methylnon-2-en-1-yl propionate

Structural Information

Molecular Formula
C13H24O2
SMILES
CCCCCC/C=C(\C)/COC(=O)CC
InChI
InChI=1S/C13H24O2/c1-4-6-7-8-9-10-12(3)11-15-13(14)5-2/h10H,4-9,11H2,1-3H3/b12-10+
InChIKey
WERYNZAGVCKEMT-ZRDIBKRKSA-N
Compound name
[(E)-2-methylnon-2-enyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.17763 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 154.3
[M+Na]+ 235.16685 163.0
[M+NH4]+ 230.21145 160.7
[M+K]+ 251.14079 156.9
[M-H]- 211.17035 152.8
[M+Na-2H]- 233.15230 155.8
[M]+ 212.17708 154.8
[M]- 212.17818 154.8
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.