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]+ 223.16927 149.3
[M+Na]+ 245.15121 155.6
[M-H]- 221.15471 150.6
[M+NH4]+ 240.19581 164.5
[M+K]+ 261.12515 152.1
[M+H-H2O]+ 205.15925 137.1
[M+HCOO]- 267.16019 162.8
[M+CH3COO]- 281.17584 194.5
[M+Na-2H]- 243.13666 152.8
[M]+ 222.16144 143.6
[M]- 222.16254 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.