CID 11242289

[(2s,3r)-2-[(e)-non-1-en-3,5,7-triynyl]oxan-3-yl] acetate

Structural Information

Molecular Formula
C16H16O3
SMILES
CC#CC#CC#C/C=C/[C@H]1[C@@H](CCCO1)OC(=O)C
InChI
InChI=1S/C16H16O3/c1-3-4-5-6-7-8-9-11-15-16(19-14(2)17)12-10-13-18-15/h9,11,15-16H,10,12-13H2,1-2H3/b11-9+/t15-,16+/m0/s1
InChIKey
VMRYKZFDDDKPHZ-XLMABTLZSA-N
Compound name
[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10995 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 167.1
[M+Na]+ 279.09917 175.0
[M-H]- 255.10267 170.3
[M+NH4]+ 274.14377 173.6
[M+K]+ 295.07311 170.2
[M+H-H2O]+ 239.10721 155.1
[M+HCOO]- 301.10815 168.8
[M+CH3COO]- 315.12380 232.0
[M+Na-2H]- 277.08462 164.9
[M]+ 256.10940 159.0
[M]- 256.11050 159.0
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.