CID 53434686

1057670-26-4

Structural Information

Molecular Formula
C10H8O2
SMILES
C#CC1=CC2=C(C=C1)OCCO2
InChI
InChI=1S/C10H8O2/c1-2-8-3-4-9-10(7-8)12-6-5-11-9/h1,3-4,7H,5-6H2
InChIKey
HITCZQWRMRQZGQ-UHFFFAOYSA-N
Compound name
6-ethynyl-2,3-dihydro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

160.05243 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.059706 128.2
[M+Na]+ 183.041648 139.1
[M-H]- 159.045154 131.9
[M+NH4]+ 178.086253 145.4
[M+K]+ 199.015588 136.1
[M+H-H2O]+ 143.049690 116.6
[M+HCOO]- 205.050631 142.9
[M+CH3COO]- 219.066281 140.8
[M+Na-2H]- 181.027096 137.2
[M]+ 160.05188142 123.0
[M]- 160.05297858 123.0
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

patents stripe