CID 929669

303091-51-2

Structural Information

Molecular Formula
C13H13BrN2O
SMILES
CC1=CC(=NC=C1)NCC2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C13H13BrN2O/c1-9-4-5-15-13(6-9)16-8-10-7-11(14)2-3-12(10)17/h2-7,17H,8H2,1H3,(H,15,16)
InChIKey
SHAPZFMTIWZTAS-UHFFFAOYSA-N
Compound name
4-bromo-2-[[(4-methylpyridin-2-yl)amino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.02112 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02840 158.2
[M+Na]+ 315.01034 163.1
[M+NH4]+ 310.05494 162.9
[M+K]+ 330.98428 161.8
[M-H]- 291.01384 160.9
[M+Na-2H]- 312.99579 163.7
[M]+ 292.02057 158.6
[M]- 292.02167 158.6
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