CID 106954

67905-49-1

Structural Information

Molecular Formula
C14H26O2
SMILES
CCCCCCCC(C)COC(=O)C(=C)C
InChI
InChI=1S/C14H26O2/c1-5-6-7-8-9-10-13(4)11-16-14(15)12(2)3/h13H,2,5-11H2,1,3-4H3
InChIKey
HVRYPBMZOOJQMD-UHFFFAOYSA-N
Compound name
2-methylnonyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

226.19328 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.20056 159.7
[M+Na]+ 249.18250 163.7
[M-H]- 225.18600 158.9
[M+NH4]+ 244.22710 178.0
[M+K]+ 265.15644 162.5
[M+H-H2O]+ 209.19054 154.1
[M+HCOO]- 271.19148 178.9
[M+CH3COO]- 285.20713 195.3
[M+Na-2H]- 247.16795 158.8
[M]+ 226.19273 163.6
[M]- 226.19383 163.6
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

patents stripe