CID 11332852

Lactone of cis-jasmone

Structural Information

Molecular Formula
C11H18O2
SMILES
CC/C=C\CCC1(CCC(=O)O1)C
InChI
InChI=1S/C11H18O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h4-5H,3,6-9H2,1-2H3/b5-4-
InChIKey
NIKDJTTZUYNCMM-PLNGDYQASA-N
Compound name
5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

214
Patents

182.13068 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 140.9
[M+Na]+ 205.11990 147.8
[M-H]- 181.12340 144.7
[M+NH4]+ 200.16450 163.5
[M+K]+ 221.09384 146.9
[M+H-H2O]+ 165.12794 136.7
[M+HCOO]- 227.12888 162.5
[M+CH3COO]- 241.14453 180.5
[M+Na-2H]- 203.10535 145.5
[M]+ 182.13013 142.0
[M]- 182.13123 142.0
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