CID 177843239

Dtxsid401369685

Structural Information

Molecular Formula
C14H22O2
SMILES
CC/C=C\CCC#CCOC1CCCCO1
InChI
InChI=1S/C14H22O2/c1-2-3-4-5-6-7-9-12-15-14-11-8-10-13-16-14/h3-4,14H,2,5-6,8,10-13H2,1H3/b4-3-
InChIKey
DUPGSUKMQUZVTH-ARJAWSKDSA-N
Compound name
2-[(Z)-non-6-en-2-ynoxy]oxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

222.16199 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.169266 149.3
[M+Na]+ 245.151208 155.6
[M-H]- 221.154714 150.6
[M+NH4]+ 240.195813 164.5
[M+K]+ 261.125148 152.1
[M+H-H2O]+ 205.159250 137.1
[M+HCOO]- 267.160191 162.8
[M+CH3COO]- 281.175841 194.5
[M+Na-2H]- 243.136656 152.8
[M]+ 222.16144142 143.6
[M]- 222.16253858 143.6
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.