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 147.0
[M+Na]+ 267.01035 155.6
[M-H]- 243.01385 151.1
[M+NH4]+ 262.05495 166.3
[M+K]+ 282.98429 143.6
[M+H-H2O]+ 227.01839 145.5
[M+HCOO]- 289.01933 167.8
[M+CH3COO]- 303.03498 191.9
[M+Na-2H]- 264.99580 152.8
[M]+ 244.02058 162.0
[M]- 244.02168 162.0
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.