CID 45182

Nonanoic acid, ester with allyl lactate

Structural Information

Molecular Formula
C15H26O4
SMILES
CCCCCCCCC(=O)OC(=O)C(C)OCC=C
InChI
InChI=1S/C15H26O4/c1-4-6-7-8-9-10-11-14(16)19-15(17)13(3)18-12-5-2/h5,13H,2,4,6-12H2,1,3H3
InChIKey
SJNNFQVMAYYPQE-UHFFFAOYSA-N
Compound name
2-prop-2-enoxypropanoyl nonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1831 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.19038 168.5
[M+Na]+ 293.17232 172.3
[M-H]- 269.17582 167.5
[M+NH4]+ 288.21692 184.8
[M+K]+ 309.14626 171.3
[M+H-H2O]+ 253.18036 162.4
[M+HCOO]- 315.18130 188.0
[M+CH3COO]- 329.19695 200.6
[M+Na-2H]- 291.15777 167.2
[M]+ 270.18255 174.9
[M]- 270.18365 174.9
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.