CID 24691009

(2-bromo-5-methoxyphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H10BrNO
SMILES
COC1=CC(=C(C=C1)Br)CN
InChI
InChI=1S/C8H10BrNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,5,10H2,1H3
InChIKey
PWFPLVSPVFJSSZ-UHFFFAOYSA-N
Compound name
(2-bromo-5-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

214.99458 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00186 137.3
[M+Na]+ 237.98380 149.1
[M-H]- 213.98730 143.5
[M+NH4]+ 233.02840 159.4
[M+K]+ 253.95774 138.1
[M+H-H2O]+ 197.99184 137.1
[M+HCOO]- 259.99278 160.1
[M+CH3COO]- 274.00843 187.0
[M+Na-2H]- 235.96925 144.7
[M]+ 214.99403 155.7
[M]- 214.99513 155.7
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