CID 175597

94201-35-1

Structural Information

Molecular Formula
C14H24O2
SMILES
CC(=CCCC(C)(CC(=C)C)OC(=O)C)C
InChI
InChI=1S/C14H24O2/c1-11(2)8-7-9-14(6,10-12(3)4)16-13(5)15/h8H,3,7,9-10H2,1-2,4-6H3
InChIKey
TZZHLXPJOWLPFA-UHFFFAOYSA-N
Compound name
2,4,8-trimethylnona-1,7-dien-4-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 156.0
[M+Na]+ 247.166848 160.9
[M-H]- 223.170354 155.7
[M+NH4]+ 242.211453 174.5
[M+K]+ 263.140788 159.5
[M+H-H2O]+ 207.174890 151.4
[M+HCOO]- 269.175831 173.9
[M+CH3COO]- 283.191481 194.0
[M+Na-2H]- 245.152296 156.2
[M]+ 224.17708142 158.7
[M]- 224.17817858 158.7
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

No patent data available for this compound.