CID 76722

6,10-dimethylundeca-5,9-dien-2-yl acetate

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(CCC=C(C)CCC=C(C)C)OC(=O)C
InChI
InChI=1S/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)17-15(5)16/h8,10,14H,6-7,9,11H2,1-5H3
InChIKey
BXGLLMNDXKACMT-UHFFFAOYSA-N
Compound name
6,10-dimethylundeca-5,9-dien-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

242
Patents

238.19328 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 162.7
[M+Na]+ 261.182498 166.5
[M-H]- 237.186004 161.9
[M+NH4]+ 256.227103 180.5
[M+K]+ 277.156438 165.0
[M+H-H2O]+ 221.190540 157.2
[M+HCOO]- 283.191481 180.8
[M+CH3COO]- 297.207131 196.9
[M+Na-2H]- 259.167946 160.1
[M]+ 238.19273142 165.4
[M]- 238.19382858 165.4
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