CID 16109477

1171482-06-6

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC1(CC2=C(O1)C(=CC=C2)OCCN)C
InChI
InChI=1S/C12H17NO2/c1-12(2)8-9-4-3-5-10(11(9)15-12)14-7-6-13/h3-5H,6-8,13H2,1-2H3
InChIKey
SZPVIOGPECKSPN-UHFFFAOYSA-N
Compound name
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

207.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 145.2
[M+Na]+ 230.11515 153.7
[M-H]- 206.11865 150.1
[M+NH4]+ 225.15975 167.6
[M+K]+ 246.08909 152.2
[M+H-H2O]+ 190.12319 140.2
[M+HCOO]- 252.12413 167.9
[M+CH3COO]- 266.13978 188.1
[M+Na-2H]- 228.10060 151.6
[M]+ 207.12538 147.1
[M]- 207.12648 147.1
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