CID 5458645

(e)-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene

Structural Information

Molecular Formula
C14H14O2
SMILES
CC#CC#C/C=C/1\C=CC2(O1)CCCCO2
InChI
InChI=1S/C14H14O2/c1-2-3-4-5-8-13-9-11-14(16-13)10-6-7-12-15-14/h8-9,11H,6-7,10,12H2,1H3/b13-8+
InChIKey
RNEORCMLRJNFGE-MDWZMJQESA-N
Compound name
(2E)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

214.09938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 171.8
[M+Na]+ 237.08860 179.9
[M+NH4]+ 232.13320 173.3
[M+K]+ 253.06254 169.1
[M-H]- 213.09210 162.4
[M+Na-2H]- 235.07405 169.8
[M]+ 214.09883 169.1
[M]- 214.09993 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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