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]+ 183.13796 143.7
[M+Na]+ 205.11990 149.3
[M-H]- 181.12340 143.8
[M+NH4]+ 200.16450 163.8
[M+K]+ 221.09384 148.8
[M+H-H2O]+ 165.12794 139.1
[M+HCOO]- 227.12888 163.2
[M+CH3COO]- 241.14453 184.9
[M+Na-2H]- 203.10535 143.4
[M]+ 182.13013 145.0
[M]- 182.13123 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.