CID 60664571

[(5-bromofuran-2-yl)methyl][2-(1h-imidazol-1-yl)ethyl]amine

Structural Information

Molecular Formula
C10H12BrN3O
SMILES
C1=CN(C=N1)CCNCC2=CC=C(O2)Br
InChI
InChI=1S/C10H12BrN3O/c11-10-2-1-9(15-10)7-12-3-5-14-6-4-13-8-14/h1-2,4,6,8,12H,3,5,7H2
InChIKey
YWXVIXPUBJFQEH-UHFFFAOYSA-N
Compound name
N-[(5-bromofuran-2-yl)methyl]-2-imidazol-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.01636 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.02364 150.7
[M+Na]+ 292.00558 163.0
[M-H]- 268.00908 158.6
[M+NH4]+ 287.05018 170.3
[M+K]+ 307.97952 153.2
[M+H-H2O]+ 252.01362 149.0
[M+HCOO]- 314.01456 174.6
[M+CH3COO]- 328.03021 166.0
[M+Na-2H]- 289.99103 158.0
[M]+ 269.01581 172.5
[M]- 269.01691 172.5
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.