CID 108515

Citronellyl ethyl oxalate

Structural Information

Molecular Formula
C14H24O4
SMILES
CCOC(=O)C(=O)OCCC(C)CCC=C(C)C
InChI
InChI=1S/C14H24O4/c1-5-17-13(15)14(16)18-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3
InChIKey
VCHQSPDXMJAXJI-UHFFFAOYSA-N
Compound name
2-O-(3,7-dimethyloct-6-enyl) 1-O-ethyl oxalate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

134
Patents

256.16745 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17473 163.4
[M+Na]+ 279.15667 170.3
[M+NH4]+ 274.20127 167.8
[M+K]+ 295.13061 166.6
[M-H]- 255.16017 160.0
[M+Na-2H]- 277.14212 162.8
[M]+ 256.16690 162.8
[M]- 256.16800 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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