CID 44148259

94349-59-4

Structural Information

Molecular Formula
C16H26O2
SMILES
CC1=CC2CC(C1CC2C(C)C)C(C)OC(=O)C
InChI
InChI=1S/C16H26O2/c1-9(2)14-8-15-10(3)6-13(14)7-16(15)11(4)18-12(5)17/h6,9,11,13-16H,7-8H2,1-5H3
InChIKey
FBJZZRLZTRJKPC-UHFFFAOYSA-N
Compound name
1-(6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.19328 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 165.2
[M+Na]+ 273.182498 168.2
[M-H]- 249.186004 161.6
[M+NH4]+ 268.227103 187.2
[M+K]+ 289.156438 166.6
[M+H-H2O]+ 233.190540 160.9
[M+HCOO]- 295.191481 173.5
[M+CH3COO]- 309.207131 205.5
[M+Na-2H]- 271.167946 168.7
[M]+ 250.19273142 168.8
[M]- 250.19382858 168.8
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.