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 156.7
[M+Na]+ 315.01034 167.7
[M-H]- 291.01384 163.6
[M+NH4]+ 310.05494 173.9
[M+K]+ 330.98428 155.0
[M+H-H2O]+ 275.01838 154.9
[M+HCOO]- 337.01932 177.2
[M+CH3COO]- 351.03497 198.8
[M+Na-2H]- 312.99579 163.9
[M]+ 292.02057 174.6
[M]- 292.02167 174.6
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