CID 11252839

9z-undecenyl acetate

Structural Information

Molecular Formula
C13H24O2
SMILES
C/C=C\CCCCCCCCOC(=O)C
InChI
InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3-4H,5-12H2,1-2H3/b4-3-
InChIKey
IOWSUZZEPMULFR-ARJAWSKDSA-N
Compound name
[(Z)-undec-9-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

212.17763 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.184906 154.8
[M+Na]+ 235.166848 159.7
[M-H]- 211.170354 154.0
[M+NH4]+ 230.211453 173.8
[M+K]+ 251.140788 157.9
[M+H-H2O]+ 195.174890 149.2
[M+HCOO]- 257.175831 176.3
[M+CH3COO]- 271.191481 190.0
[M+Na-2H]- 233.152296 157.0
[M]+ 212.17708142 159.5
[M]- 212.17817858 159.5
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