CID 177843261

Dtxsid901369804

Structural Information

Molecular Formula
C12H22O2
SMILES
CC/C=C\CCCCCOC(=O)CC
InChI
InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-14-12(13)4-2/h5-6H,3-4,7-11H2,1-2H3/b6-5-
InChIKey
GKJBHLHCRUALQA-WAYWQWQTSA-N
Compound name
[(Z)-non-6-enyl] propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

198.16199 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.169266 150.2
[M+Na]+ 221.151208 155.5
[M-H]- 197.154714 149.6
[M+NH4]+ 216.195813 169.8
[M+K]+ 237.125148 153.9
[M+H-H2O]+ 181.159250 144.8
[M+HCOO]- 243.160191 172.0
[M+CH3COO]- 257.175841 187.0
[M+Na-2H]- 219.136656 152.9
[M]+ 198.16144142 154.5
[M]- 198.16253858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.