CID 13778152

3-amino-2,3-dihydrobenzofuran

Structural Information

Molecular Formula
C8H9NO
SMILES
C1C(C2=CC=CC=C2O1)N
InChI
InChI=1S/C8H9NO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7H,5,9H2
InChIKey
PLCGAGSBVAGXMP-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

135.06842 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 123.8
[M+Na]+ 158.05764 132.2
[M-H]- 134.06114 128.8
[M+NH4]+ 153.10224 146.8
[M+K]+ 174.03158 131.1
[M+H-H2O]+ 118.06568 118.8
[M+HCOO]- 180.06662 147.7
[M+CH3COO]- 194.08227 138.6
[M+Na-2H]- 156.04309 131.9
[M]+ 135.06787 122.2
[M]- 135.06897 122.2
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