CID 3023117

Ns00064825

Structural Information

Molecular Formula
C13H22O2
SMILES
CC(C)CC(=O)OC1CCCC=CCC1
InChI
InChI=1S/C13H22O2/c1-11(2)10-13(14)15-12-8-6-4-3-5-7-9-12/h3-4,11-12H,5-10H2,1-2H3
InChIKey
NOCIMGBKIKPXQV-UHFFFAOYSA-N
Compound name
cyclooct-4-en-1-yl 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 152.9
[M+Na]+ 233.151208 156.3
[M-H]- 209.154714 154.3
[M+NH4]+ 228.195813 161.3
[M+K]+ 249.125148 157.0
[M+H-H2O]+ 193.159250 149.3
[M+HCOO]- 255.160191 161.3
[M+CH3COO]- 269.175841 224.3
[M+Na-2H]- 231.136656 151.9
[M]+ 210.16144142 152.1
[M]- 210.16253858 152.1
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.