CID 2775124

1-ethoxy-4-ethynylbenzene

Structural Information

Molecular Formula
C10H10O
SMILES
CCOC1=CC=C(C=C1)C#C
InChI
InChI=1S/C10H10O/c1-3-9-5-7-10(8-6-9)11-4-2/h1,5-8H,4H2,2H3
InChIKey
FRGNOZUOTHMJSC-UHFFFAOYSA-N
Compound name
1-ethoxy-4-ethynylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
Patents

146.07317 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.080446 129.6
[M+Na]+ 169.062388 140.4
[M-H]- 145.065894 132.1
[M+NH4]+ 164.106993 149.0
[M+K]+ 185.036328 136.6
[M+H-H2O]+ 129.070430 118.4
[M+HCOO]- 191.071371 148.4
[M+CH3COO]- 205.087021 184.6
[M+Na-2H]- 167.047836 135.8
[M]+ 146.07262142 125.6
[M]- 146.07371858 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe