CID 155267

67427-57-0

Structural Information

Molecular Formula
C9H13BrN2O
SMILES
C1=CC=C(C(=C1)NCC(CN)O)Br
InChI
InChI=1S/C9H13BrN2O/c10-8-3-1-2-4-9(8)12-6-7(13)5-11/h1-4,7,12-13H,5-6,11H2
InChIKey
SFEBOPIYELCDSW-UHFFFAOYSA-N
Compound name
1-amino-3-(2-bromoanilino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.02113 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02841 147.5
[M+Na]+ 267.01035 148.5
[M+NH4]+ 262.05495 151.7
[M+K]+ 282.98429 149.0
[M-H]- 243.01385 148.3
[M+Na-2H]- 264.99580 150.0
[M]+ 244.02058 146.5
[M]- 244.02168 146.5
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.