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]+ 240.00186 145.8
[M+Na]+ 261.98380 159.9
[M-H]- 237.98730 154.1
[M+NH4]+ 257.02840 168.8
[M+K]+ 277.95774 149.2
[M+H-H2O]+ 221.99184 146.1
[M+HCOO]- 283.99278 169.0
[M+CH3COO]- 298.00843 191.0
[M+Na-2H]- 259.96925 153.6
[M]+ 238.99403 166.8
[M]- 238.99513 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