CID 84056734

1-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1COC2=C1C=C(C=C2Br)CN
InChI
InChI=1S/C9H10BrNO/c10-8-4-6(5-11)3-7-1-2-12-9(7)8/h3-4H,1-2,5,11H2
InChIKey
YUHACKCEDYAHOX-UHFFFAOYSA-N
Compound name
(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.99458 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 144.5
[M+Na]+ 249.983798 156.2
[M-H]- 225.987304 151.9
[M+NH4]+ 245.028403 167.4
[M+K]+ 265.957738 146.0
[M+H-H2O]+ 209.991840 144.8
[M+HCOO]- 271.992781 165.3
[M+CH3COO]- 286.008431 187.6
[M+Na-2H]- 247.969246 151.6
[M]+ 226.99403142 162.0
[M]- 226.99512858 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

No patent data available for this compound.