CID 126589

Dimemebfe

Structural Information

Molecular Formula
C13H17NO2
SMILES
CN(C)CCC1=COC2=C1C=C(C=C2)OC
InChI
InChI=1S/C13H17NO2/c1-14(2)7-6-10-9-16-13-5-4-11(15-3)8-12(10)13/h4-5,8-9H,6-7H2,1-3H3
InChIKey
WBPQJTBOQCCTFX-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

219.12593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 148.5
[M+Na]+ 242.11515 157.7
[M-H]- 218.11865 155.7
[M+NH4]+ 237.15975 169.5
[M+K]+ 258.08909 157.3
[M+H-H2O]+ 202.12319 142.4
[M+HCOO]- 264.12413 174.9
[M+CH3COO]- 278.13978 195.1
[M+Na-2H]- 240.10060 155.2
[M]+ 219.12538 155.6
[M]- 219.12648 155.6
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