CID 155819815

1-(ethoxymethoxy)-2-ethynylbenzene

Structural Information

Molecular Formula
C11H12O2
SMILES
CCOCOC1=CC=CC=C1C#C
InChI
InChI=1S/C11H12O2/c1-3-10-7-5-6-8-11(10)13-9-12-4-2/h1,5-8H,4,9H2,2H3
InChIKey
UEEDWNOCIREMIQ-UHFFFAOYSA-N
Compound name
1-(ethoxymethoxy)-2-ethynylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.08372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 136.2
[M+Na]+ 199.072938 146.5
[M-H]- 175.076444 138.5
[M+NH4]+ 194.117543 154.4
[M+K]+ 215.046878 143.1
[M+H-H2O]+ 159.080980 124.6
[M+HCOO]- 221.081921 154.9
[M+CH3COO]- 235.097571 189.1
[M+Na-2H]- 197.058386 141.9
[M]+ 176.08317142 133.9
[M]- 176.08426858 133.9
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.