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
3
Annotation Hits

0
References

146
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 164.1
[M+Na]+ 279.15667 168.3
[M-H]- 255.16017 163.5
[M+NH4]+ 274.20127 181.2
[M+K]+ 295.13061 168.1
[M+H-H2O]+ 239.16471 158.4
[M+HCOO]- 301.16565 183.0
[M+CH3COO]- 315.18130 197.2
[M+Na-2H]- 277.14212 162.2
[M]+ 256.16690 169.3
[M]- 256.16800 169.3
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.