CID 5363389

76238-22-7

Structural Information

Molecular Formula
C11H20O2
SMILES
CC/C=C\CCCCCOC(=O)C
InChI
InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5H,3,6-10H2,1-2H3/b5-4-
InChIKey
DFRXMRZQBMFKMI-PLNGDYQASA-N
Compound name
[(Z)-non-6-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

114
Patents

184.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 145.5
[M+Na]+ 207.13555 151.3
[M-H]- 183.13905 145.2
[M+NH4]+ 202.18015 165.7
[M+K]+ 223.10949 150.0
[M+H-H2O]+ 167.14359 140.4
[M+HCOO]- 229.14453 167.7
[M+CH3COO]- 243.16018 184.0
[M+Na-2H]- 205.12100 148.8
[M]+ 184.14578 149.5
[M]- 184.14688 149.5
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