CID 59106152

883143-64-4

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1C(OC2=C1C=C(C=C2)Br)CN
InChI
InChI=1S/C9H10BrNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-3,8H,4-5,11H2
InChIKey
ORIKFZRVWPCELV-UHFFFAOYSA-N
Compound name
(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.99458 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 144.5
[M+Na]+ 249.98380 156.2
[M-H]- 225.98730 151.9
[M+NH4]+ 245.02840 167.4
[M+K]+ 265.95774 146.0
[M+H-H2O]+ 209.99184 144.8
[M+HCOO]- 271.99278 165.3
[M+CH3COO]- 286.00843 187.6
[M+Na-2H]- 247.96925 151.6
[M]+ 226.99403 162.0
[M]- 226.99513 162.0
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