CID 6261926

59916-27-7

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 155.2
[M+Na]+ 235.16685 159.9
[M-H]- 211.17035 154.5
[M+NH4]+ 230.21145 174.2
[M+K]+ 251.14079 158.5
[M+H-H2O]+ 195.17489 149.7
[M+HCOO]- 257.17583 175.7
[M+CH3COO]- 271.19148 190.8
[M+Na-2H]- 233.15230 156.1
[M]+ 212.17708 159.2
[M]- 212.17818 159.2
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.