CID 18525171

4,5,6,7-tetrahydro-1-benzofuran-4-amine

Structural Information

Molecular Formula
C8H11NO
SMILES
C1CC(C2=C(C1)OC=C2)N
InChI
InChI=1S/C8H11NO/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5,7H,1-3,9H2
InChIKey
UDDVUZXMEMNBBT-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1-benzofuran-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

137.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 125.5
[M+Na]+ 160.073278 132.9
[M-H]- 136.076784 130.1
[M+NH4]+ 155.117883 148.4
[M+K]+ 176.047218 132.0
[M+H-H2O]+ 120.081320 120.5
[M+HCOO]- 182.082261 148.0
[M+CH3COO]- 196.097911 139.8
[M+Na-2H]- 158.058726 132.7
[M]+ 137.08351142 122.5
[M]- 137.08460858 122.5
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