CID 73557539

Ns00081205

Structural Information

Molecular Formula
C17H28O2
SMILES
CCCCC1C2CC=C(C(C2)C1(C)C)COC(=O)C
InChI
InChI=1S/C17H28O2/c1-5-6-7-15-13-8-9-14(11-19-12(2)18)16(10-13)17(15,3)4/h9,13,15-16H,5-8,10-11H2,1-4H3
InChIKey
NBAONGHMJXXJLS-UHFFFAOYSA-N
Compound name
(6-butyl-7,7-dimethyl-2-bicyclo[3.2.1]oct-2-enyl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.216196 166.7
[M+Na]+ 287.198138 173.1
[M-H]- 263.201644 169.0
[M+NH4]+ 282.242743 189.4
[M+K]+ 303.172078 170.0
[M+H-H2O]+ 247.206180 162.1
[M+HCOO]- 309.207121 184.1
[M+CH3COO]- 323.222771 201.4
[M+Na-2H]- 285.183586 167.3
[M]+ 264.20837142 169.4
[M]- 264.20946858 169.4
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.