CID 516774

[?]yl [?]carboxylate

Structural Information

Molecular Formula
C22H32O2
SMILES
C1CC2C(C1)C3CC2CC3OC(=O)C45CCCC6C4CCC(C6)C5
InChI
InChI=1S/C22H32O2/c23-21(22-8-2-3-14-9-13(12-22)6-7-19(14)22)24-20-11-15-10-18(20)17-5-1-4-16(15)17/h13-20H,1-12H2
InChIKey
VRLQGELIVJNHMS-UHFFFAOYSA-N
Compound name
8-tricyclo[5.2.1.02,6]decanyl tricyclo[5.3.1.03,8]undecane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.24023 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.24751 172.8
[M+Na]+ 351.22945 172.1
[M-H]- 327.23295 173.0
[M+NH4]+ 346.27405 198.8
[M+K]+ 367.20339 165.5
[M+H-H2O]+ 311.23749 166.4
[M+HCOO]- 373.23843 174.9
[M+CH3COO]- 387.25408 179.1
[M+Na-2H]- 349.21490 169.9
[M]+ 328.23968 167.5
[M]- 328.24078 167.5
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.