CID 44149086

Einecs 283-445-5

Structural Information

Molecular Formula
C19H32O2
SMILES
CCCCC(CC)C(=O)OCC1CC2CC1C3C2CCC3
InChI
InChI=1S/C19H32O2/c1-3-5-7-13(4-2)19(20)21-12-15-10-14-11-18(15)17-9-6-8-16(14)17/h13-18H,3-12H2,1-2H3
InChIKey
GWEYJKIUFUDTRJ-UHFFFAOYSA-N
Compound name
8-tricyclo[5.2.1.02,6]decanylmethyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.24023 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.247506 183.5
[M+Na]+ 315.229448 186.5
[M-H]- 291.232954 185.9
[M+NH4]+ 310.274053 206.6
[M+K]+ 331.203388 183.3
[M+H-H2O]+ 275.237490 179.2
[M+HCOO]- 337.238431 198.8
[M+CH3COO]- 351.254081 206.2
[M+Na-2H]- 313.214896 177.8
[M]+ 292.23968142 184.2
[M]- 292.24077858 184.2
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.