CID 10448019

Obtusilactone a

Structural Information

Molecular Formula
C19H32O3
SMILES
CCCCCCCCCCCCC/C=C\1/C(C(=C)OC1=O)O
InChI
InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15,18,20H,2-14H2,1H3/b17-15-
InChIKey
FCLYKYQBTSMTJB-ICFOKQHNSA-N
Compound name
(3Z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

308.23514 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.24242 180.4
[M+Na]+ 331.22436 184.7
[M-H]- 307.22786 181.6
[M+NH4]+ 326.26896 195.6
[M+K]+ 347.19830 180.5
[M+H-H2O]+ 291.23240 174.4
[M+HCOO]- 353.23334 198.2
[M+CH3COO]- 367.24899 206.1
[M+Na-2H]- 329.20981 177.8
[M]+ 308.23459 183.8
[M]- 308.23569 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.