CID 44148338

94022-62-5

Structural Information

Molecular Formula
C13H22O2
SMILES
CC(=O)OC1CC(CC2(C1CC2)C)(C)C
InChI
InChI=1S/C13H22O2/c1-9(14)15-11-7-12(2,3)8-13(4)6-5-10(11)13/h10-11H,5-8H2,1-4H3
InChIKey
LYEOSMYGBISMGN-UHFFFAOYSA-N
Compound name
(4,4,6-trimethyl-2-bicyclo[4.2.0]octanyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 149.4
[M+Na]+ 233.151208 155.2
[M-H]- 209.154714 153.7
[M+NH4]+ 228.195813 167.1
[M+K]+ 249.125148 156.8
[M+H-H2O]+ 193.159250 141.4
[M+HCOO]- 255.160191 165.9
[M+CH3COO]- 269.175841 192.2
[M+Na-2H]- 231.136656 153.4
[M]+ 210.16144142 157.8
[M]- 210.16253858 157.8
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.