CID 33786383

(5-bromo-2-methoxyphenyl)methanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

214.99458 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.001856 137.3
[M+Na]+ 237.983798 149.1
[M-H]- 213.987304 143.5
[M+NH4]+ 233.028403 159.4
[M+K]+ 253.957738 138.1
[M+H-H2O]+ 197.991840 137.1
[M+HCOO]- 259.992781 160.1
[M+CH3COO]- 274.008431 187.0
[M+Na-2H]- 235.969246 144.7
[M]+ 214.99403142 155.7
[M]- 214.99512858 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

No literature data available for this compound.

Patent stripe

patents stripe