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

2992
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

literature stripe

Patent stripe

patents stripe