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

2
Patents

160.05243 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05971 128.2
[M+Na]+ 183.04165 139.1
[M-H]- 159.04515 131.9
[M+NH4]+ 178.08625 145.4
[M+K]+ 199.01559 136.1
[M+H-H2O]+ 143.04969 116.6
[M+HCOO]- 205.05063 142.9
[M+CH3COO]- 219.06628 140.8
[M+Na-2H]- 181.02710 137.2
[M]+ 160.05188 123.0
[M]- 160.05298 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