CID 3023389

3,7-dimethyl-2,6-octadien-1-yl 2-methyl-2-propenoate

Structural Information

Molecular Formula
C14H22O2
SMILES
CC(=CCCC(=CCOC(=O)C(=C)C)C)C
InChI
InChI=1S/C14H22O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9H,3,6,8,10H2,1-2,4-5H3
InChIKey
DWJIEXRXQKFNAB-UHFFFAOYSA-N
Compound name
3,7-dimethylocta-2,6-dienyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

222.16199 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 156.0
[M+Na]+ 245.15121 160.6
[M-H]- 221.15471 155.5
[M+NH4]+ 240.19581 174.4
[M+K]+ 261.12515 158.7
[M+H-H2O]+ 205.15925 150.9
[M+HCOO]- 267.16019 174.7
[M+CH3COO]- 281.17584 193.0
[M+Na-2H]- 243.13666 154.1
[M]+ 222.16144 157.7
[M]- 222.16254 157.7
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