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
5
Annotation Hits

0
References

9
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 141.9
[M+Na]+ 205.11990 147.1
[M-H]- 181.12340 145.2
[M+NH4]+ 200.16450 160.6
[M+K]+ 221.09384 146.2
[M+H-H2O]+ 165.12794 136.2
[M+HCOO]- 227.12888 161.5
[M+CH3COO]- 241.14453 181.2
[M+Na-2H]- 203.10535 146.5
[M]+ 182.13013 140.7
[M]- 182.13123 140.7
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