CID 154699601

Ns00117357

Structural Information

Molecular Formula
C16H21NO2
SMILES
CC(C)(C)NCC(C1=CC2=C(O1)C(=CC=C2)C=C)O
InChI
InChI=1S/C16H21NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h5-9,13,17-18H,1,10H2,2-4H3
InChIKey
FVNDVONSLMNGES-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-1-(7-ethenyl-1-benzofuran-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15723 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 162.5
[M+Na]+ 282.14645 170.3
[M-H]- 258.14995 166.8
[M+NH4]+ 277.19105 180.5
[M+K]+ 298.12039 167.3
[M+H-H2O]+ 242.15449 157.1
[M+HCOO]- 304.15543 183.4
[M+CH3COO]- 318.17108 198.0
[M+Na-2H]- 280.13190 167.6
[M]+ 259.15668 165.7
[M]- 259.15778 165.7
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

No patent data available for this compound.