CID 67125436

2-amino-5-bromo-3-methylphenol

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CC1=CC(=CC(=C1N)O)Br
InChI
InChI=1S/C7H8BrNO/c1-4-2-5(8)3-6(10)7(4)9/h2-3,10H,9H2,1H3
InChIKey
FFBIMVNOVSZHEJ-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

200.97893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 133.3
[M+Na]+ 223.96815 145.8
[M-H]- 199.97165 138.6
[M+NH4]+ 219.01275 155.4
[M+K]+ 239.94209 134.1
[M+H-H2O]+ 183.97619 133.5
[M+HCOO]- 245.97713 154.8
[M+CH3COO]- 259.99278 182.9
[M+Na-2H]- 221.95360 139.9
[M]+ 200.97838 149.8
[M]- 200.97948 149.8
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