CID 94403

Farnesyl acetate

Structural Information

Molecular Formula
C17H28O2
SMILES
CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)C
InChI
InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3
InChIKey
ZGIGZINMAOQWLX-UHFFFAOYSA-N
Compound name
3,7,11-trimethyldodeca-2,6,10-trienyl acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

30
References

1945
Patents

264.20892 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 170.3
[M+Na]+ 287.19814 173.7
[M-H]- 263.20164 169.2
[M+NH4]+ 282.24274 187.1
[M+K]+ 303.17208 171.0
[M+H-H2O]+ 247.20618 164.6
[M+HCOO]- 309.20712 187.9
[M+CH3COO]- 323.22277 201.3
[M+Na-2H]- 285.18359 166.7
[M]+ 264.20837 173.0
[M]- 264.20947 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe