CID 5363204

81634-99-3

Structural Information

Molecular Formula
C12H22O2
SMILES
CCCCCC/C=C\CCOC(=O)C
InChI
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h8-9H,3-7,10-11H2,1-2H3/b9-8-
InChIKey
HYSSAOQHKOCKIC-HJWRWDBZSA-N
Compound name
[(Z)-dec-3-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

65
Patents

198.16199 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 150.2
[M+Na]+ 221.15121 155.5
[M-H]- 197.15471 149.6
[M+NH4]+ 216.19581 169.8
[M+K]+ 237.12515 153.9
[M+H-H2O]+ 181.15925 144.8
[M+HCOO]- 243.16019 172.0
[M+CH3COO]- 257.17584 187.0
[M+Na-2H]- 219.13666 152.9
[M]+ 198.16144 154.5
[M]- 198.16254 154.5
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