CID 53414441

(3-bromo-5-methoxyphenyl)methanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
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

No literature data available for this compound.

Patent stripe

patents stripe