CID 366088

Nsc634300

Structural Information

Molecular Formula
C13H16O2
SMILES
CCOC#CCCOCC1=CC=CC=C1
InChI
InChI=1S/C13H16O2/c1-2-14-10-6-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9H,2,7,11-12H2,1H3
InChIKey
POGJYZRAKVSGMY-UHFFFAOYSA-N
Compound name
4-ethoxybut-3-ynoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 145.6
[M+Na]+ 227.10426 154.5
[M-H]- 203.10776 147.2
[M+NH4]+ 222.14886 162.6
[M+K]+ 243.07820 150.4
[M+H-H2O]+ 187.11230 133.3
[M+HCOO]- 249.11324 163.7
[M+CH3COO]- 263.12889 192.3
[M+Na-2H]- 225.08971 150.8
[M]+ 204.11449 143.4
[M]- 204.11559 143.4
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.