CID 96780393

2792161-48-7

Structural Information

Molecular Formula
C8H10BrNO
SMILES
C[C@H](C1=C(C=C(C=C1)Br)O)N
InChI
InChI=1S/C8H10BrNO/c1-5(10)7-3-2-6(9)4-8(7)11/h2-5,11H,10H2,1H3/t5-/m1/s1
InChIKey
XLNAIXDISZVKQD-RXMQYKEDSA-N
Compound name
2-[(1R)-1-aminoethyl]-5-bromophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.99458 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00186 139.1
[M+Na]+ 237.98380 150.0
[M-H]- 213.98730 143.9
[M+NH4]+ 233.02840 160.3
[M+K]+ 253.95774 138.6
[M+H-H2O]+ 197.99184 139.0
[M+HCOO]- 259.99278 159.4
[M+CH3COO]- 274.00843 185.4
[M+Na-2H]- 235.96925 144.6
[M]+ 214.99403 155.0
[M]- 214.99513 155.0
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.