CID 11629959

(r)-tetradec-2-en-1,5-olide

Structural Information

Molecular Formula
C14H24O2
SMILES
CCCCCCCCC[C@@H]1CC=CC(=O)O1
InChI
InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h9,12-13H,2-8,10-11H2,1H3/t13-/m1/s1
InChIKey
CRCMEDPBLYDLQH-CYBMUJFWSA-N
Compound name
(2R)-2-nonyl-2,3-dihydropyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

224.17763 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 155.4
[M+Na]+ 247.16685 159.8
[M-H]- 223.17035 158.3
[M+NH4]+ 242.21145 172.4
[M+K]+ 263.14079 158.5
[M+H-H2O]+ 207.17489 148.9
[M+HCOO]- 269.17583 175.1
[M+CH3COO]- 283.19148 191.4
[M+Na-2H]- 245.15230 159.2
[M]+ 224.17708 157.4
[M]- 224.17818 157.4
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

patents stripe