CID 83704746

3-bromo-5-[(methylamino)methyl]phenol

Structural Information

Molecular Formula
C8H10BrNO
SMILES
CNCC1=CC(=CC(=C1)Br)O
InChI
InChI=1S/C8H10BrNO/c1-10-5-6-2-7(9)4-8(11)3-6/h2-4,10-11H,5H2,1H3
InChIKey
KEMGMUUENMCZRC-UHFFFAOYSA-N
Compound name
3-bromo-5-(methylaminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.99458 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00186 137.3
[M+Na]+ 237.98380 148.6
[M-H]- 213.98730 142.6
[M+NH4]+ 233.02840 158.9
[M+K]+ 253.95774 137.0
[M+H-H2O]+ 197.99184 137.2
[M+HCOO]- 259.99278 159.2
[M+CH3COO]- 274.00843 185.2
[M+Na-2H]- 235.96925 145.2
[M]+ 214.99403 154.8
[M]- 214.99513 154.8
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

No patent data available for this compound.