CID 20846226

(z)-6-(3-hexenyl)tetrahydro-2h-pyran-2-one

Structural Information

Molecular Formula
C11H18O2
SMILES
CC/C=C\CCC1CCCC(=O)O1
InChI
InChI=1S/C11H18O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h3-4,10H,2,5-9H2,1H3/b4-3-
InChIKey
UJHDFCVFLRPEJQ-ARJAWSKDSA-N
Compound name
6-[(Z)-hex-3-enyl]oxan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

246
Patents

182.13068 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 142.7
[M+Na]+ 205.11990 153.5
[M+NH4]+ 200.16450 150.7
[M+K]+ 221.09384 146.8
[M-H]- 181.12340 145.4
[M+Na-2H]- 203.10535 146.4
[M]+ 182.13013 144.8
[M]- 182.13123 144.8
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

patents stripe