CID 171119971

Cucujolide x

Structural Information

Molecular Formula
C14H22O2
SMILES
CC[C@@H]1CC/C=C\C/C=C\CCCC(=O)O1
InChI
InChI=1S/C14H22O2/c1-2-13-11-9-7-5-3-4-6-8-10-12-14(15)16-13/h4-7,13H,2-3,8-12H2,1H3/b6-4-,7-5-/t13-/m1/s1
InChIKey
YLRPLFAERBPPFP-MVSJEEPGSA-N
Compound name
(6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.16199 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 149.5
[M+Na]+ 245.15121 153.8
[M-H]- 221.15471 151.2
[M+NH4]+ 240.19581 163.6
[M+K]+ 261.12515 153.8
[M+H-H2O]+ 205.15925 146.8
[M+HCOO]- 267.16019 167.7
[M+CH3COO]- 281.17584 182.1
[M+Na-2H]- 243.13666 152.9
[M]+ 222.16144 143.5
[M]- 222.16254 143.5
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.