CID 3085759

Diisobutenylmethyl acetate

Structural Information

Molecular Formula
C11H18O2
SMILES
CC(=CC(C=C(C)C)OC(=O)C)C
InChI
InChI=1S/C11H18O2/c1-8(2)6-11(7-9(3)4)13-10(5)12/h6-7,11H,1-5H3
InChIKey
RKHJPQZCUGVDID-UHFFFAOYSA-N
Compound name
2,6-dimethylhepta-2,5-dien-4-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 143.7
[M+Na]+ 205.119898 149.3
[M-H]- 181.123404 143.8
[M+NH4]+ 200.164503 163.8
[M+K]+ 221.093838 148.8
[M+H-H2O]+ 165.127940 139.1
[M+HCOO]- 227.128881 163.2
[M+CH3COO]- 241.144531 184.9
[M+Na-2H]- 203.105346 143.4
[M]+ 182.13013142 145.0
[M]- 182.13122858 145.0
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.