CID 44149950

93805-74-4

Structural Information

Molecular Formula
C16H26O2
SMILES
CC(C)CC1(CC2CC1C3C2CCC3)OC(=O)C
InChI
InChI=1S/C16H26O2/c1-10(2)8-16(18-11(3)17)9-12-7-15(16)14-6-4-5-13(12)14/h10,12-15H,4-9H2,1-3H3
InChIKey
FPPRJKWGULBYSC-UHFFFAOYSA-N
Compound name
[8-(2-methylpropyl)-8-tricyclo[5.2.1.02,6]decanyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.19328 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 168.9
[M+Na]+ 273.182498 174.4
[M-H]- 249.186004 172.1
[M+NH4]+ 268.227103 195.8
[M+K]+ 289.156438 171.5
[M+H-H2O]+ 233.190540 165.8
[M+HCOO]- 295.191481 185.3
[M+CH3COO]- 309.207131 197.0
[M+Na-2H]- 271.167946 166.1
[M]+ 250.19273142 168.9
[M]- 250.19382858 168.9
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.