CID 53422943

Einecs 284-824-8

Structural Information

Molecular Formula
C17H30O2
SMILES
CC1CCC2C(CC2(C)C)C(C(CC1)OC(=O)C)C
InChI
InChI=1S/C17H30O2/c1-11-6-8-15-14(10-17(15,4)5)12(2)16(9-7-11)19-13(3)18/h11-12,14-16H,6-10H2,1-5H3
InChIKey
LMHUOHXVAYEILF-UHFFFAOYSA-N
Compound name
(2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undecanyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.22458 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.231856 150.9
[M+Na]+ 289.213798 162.0
[M-H]- 265.217304 154.9
[M+NH4]+ 284.258403 155.3
[M+K]+ 305.187738 156.8
[M+H-H2O]+ 249.221840 147.0
[M+HCOO]- 311.222781 156.8
[M+CH3COO]- 325.238431 158.3
[M+Na-2H]- 287.199246 161.1
[M]+ 266.22403142 156.0
[M]- 266.22512858 156.0
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.