CID 11458968

Benzene, 4-[1-(2-butynyloxy)ethyl]-1,2-dimethoxy-

Structural Information

Molecular Formula
C14H18O3
SMILES
CC#CCOC(C)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C14H18O3/c1-5-6-9-17-11(2)12-7-8-13(15-3)14(10-12)16-4/h7-8,10-11H,9H2,1-4H3
InChIKey
LABQLTFAPITERI-UHFFFAOYSA-N
Compound name
4-(1-but-2-ynoxyethyl)-1,2-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4027
Patents

234.1256 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 151.3
[M+Na]+ 257.11482 160.9
[M-H]- 233.11832 153.5
[M+NH4]+ 252.15942 167.6
[M+K]+ 273.08876 158.0
[M+H-H2O]+ 217.12286 139.3
[M+HCOO]- 279.12380 168.5
[M+CH3COO]- 293.13945 200.1
[M+Na-2H]- 255.10027 153.8
[M]+ 234.12505 150.9
[M]- 234.12615 150.9
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.