CID 6434672

Einecs 263-336-9

Structural Information

Molecular Formula
C13H22O2
SMILES
CC/C(=C/CCC(C)(C=C)OC(=O)C)/C
InChI
InChI=1S/C13H22O2/c1-6-11(3)9-8-10-13(5,7-2)15-12(4)14/h7,9H,2,6,8,10H2,1,3-5H3/b11-9+
InChIKey
IVSZEHYDOLAREK-PKNBQFBNSA-N
Compound name
[(6E)-3,7-dimethylnona-1,6-dien-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

622
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 152.0
[M+Na]+ 233.151208 157.5
[M-H]- 209.154714 151.7
[M+NH4]+ 228.195813 171.1
[M+K]+ 249.125148 155.9
[M+H-H2O]+ 193.159250 147.4
[M+HCOO]- 255.160191 171.2
[M+CH3COO]- 269.175841 190.1
[M+Na-2H]- 231.136656 153.8
[M]+ 210.16144142 154.9
[M]- 210.16253858 154.9
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

patents stripe