CID 63216476

(5-bromo-7-methyl-1-benzofuran-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C10H10BrNO
SMILES
CC1=CC(=CC2=C1OC(=C2)CN)Br
InChI
InChI=1S/C10H10BrNO/c1-6-2-8(11)3-7-4-9(5-12)13-10(6)7/h2-4H,5,12H2,1H3
InChIKey
RMDOTIGSEBBNJR-UHFFFAOYSA-N
Compound name
(5-bromo-7-methyl-1-benzofuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.99458 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.001856 145.8
[M+Na]+ 261.983798 159.9
[M-H]- 237.987304 154.1
[M+NH4]+ 257.028403 168.8
[M+K]+ 277.957738 149.2
[M+H-H2O]+ 221.991840 146.1
[M+HCOO]- 283.992781 169.0
[M+CH3COO]- 298.008431 191.0
[M+Na-2H]- 259.969246 153.6
[M]+ 238.99403142 166.8
[M]- 238.99512858 166.8
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