CID 53426221

85567-28-8

Structural Information

Molecular Formula
C17H30O2
SMILES
CCC(CCC1C2CCC(C2)C1(C)C)COC(=O)C
InChI
InChI=1S/C17H30O2/c1-5-13(11-19-12(2)18)6-9-16-14-7-8-15(10-14)17(16,3)4/h13-16H,5-11H2,1-4H3
InChIKey
RFZYOLLVWSKZBD-UHFFFAOYSA-N
Compound name
[4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-ethylbutyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.22458 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.231856 172.1
[M+Na]+ 289.213798 177.1
[M-H]- 265.217304 174.1
[M+NH4]+ 284.258403 196.0
[M+K]+ 305.187738 174.5
[M+H-H2O]+ 249.221840 168.2
[M+HCOO]- 311.222781 189.1
[M+CH3COO]- 325.238431 201.4
[M+Na-2H]- 287.199246 169.8
[M]+ 266.22403142 174.4
[M]- 266.22512858 174.4
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.